CAS No.: 353504-12-8 — 2-Furancarboxylic acid, 5-(1H-indazol-3-yl)-, methyl ester (2-Furancarboxylic acid, 5-(1H-indazol-3-yl)-, methyl ester)

1. Primary Information

English name:	2-Furancarboxylic acid, 5-(1H-indazol-3-yl)-, methyl ester
CAS No.:	353504-12-8
Molecular formula:	C₁₃H₁₀N₂O₃
Molecular weight:	242.23 g/mol
SMILES:	COC(=O)C1=CC=C(O1)C2=NNC3=CC=CC=C32
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	98%	1240	-20℃	in stock	-
Kehua Intelligence	250mg	98%	2320	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 30 0 0 0 0 0 0 0999 V2000 -1.1022 -0.1190 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6849 -0.1467 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2487 -1.9345 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1148 1.7178 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8379 2.1358 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9645 -0.1493 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1411 0.9972 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2596 0.3566 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3347 1.0016 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7691 -1.5405 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3950 -0.4566 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1218 2.1286 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3956 0.2971 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8945 -2.3741 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4611 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1842 -1.8394 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4156 -0.6954 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7962 -1.0502 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7759 -1.9782 0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8465 2.4174 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -0.0396 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7913 3.1581 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7608 -3.4528 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3563 2.2768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0408 -2.5089 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7763 -1.6715 -0.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7156 -0.4589 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7754 -1.6715 0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 17 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 20 1 0 0 0 0 5 7 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 9 1 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl 5-(1H-indazol-3-yl)furan-2-carboxylate

4.2 InChI

InChI=1S/C13H10N2O3/c1-17-13(16)11-7-6-10(18-11)12-8-4-2-3-5-9(8)14-15-12/h2-7H,1H3,(H,14,15)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)