CAS No.: 3060-89-7 — Metobromuron (溴谷隆)

1. Primary Information

English name:	Metobromuron
CAS No.:	3060-89-7
Molecular formula:	C₉H₁₁BRN₂O₂
Molecular weight:	259.10 g/mol
SMILES:	CN(C(=O)NC1=CC=C(C=C1)Br)OC
Structural class:
Other identifiers:	3-(p-bromophenyl)-1-methoxy-1-methylurea metobromuron Patoran

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	99%	160	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 25 0 0 0 0 0 0 0999 V2000 5.3293 -0.1051 0.1528 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.3118 1.1196 -0.4061 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4151 -1.8756 0.1319 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7201 0.3280 -0.1933 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9747 -0.2300 -0.1819 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6881 0.2272 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4592 1.3693 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2681 -1.0119 0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 -0.6864 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8482 1.2699 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6571 -1.1114 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4473 0.0296 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1384 -1.0924 -0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4687 1.7692 0.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0827 1.2615 -0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0025 2.3401 -0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7288 -1.9397 0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4494 2.1685 -0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1095 -2.0849 0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7565 -0.9460 -0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7151 -0.8241 0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8466 -2.1432 -0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5594 2.8434 0.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6052 1.6047 1.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3832 1.4294 1.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 3 9 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 8 11 2 0 0 0 0 8 17 1 0 0 0 0 10 12 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-(4-bromophenyl)-1-methoxy-1-methylurea

4.2 InChI

InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

4.3 InChIKey

WLFDQEVORAMCIM-UHFFFAOYSA-N

4.4 Canonical SMILES

CN(C(=O)NC1=CC=C(C=C1)Br)OC

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)