CAS No.: 13360-45-7 — Chlorbromuron (氯溴隆)

1. Primary Information

English name:	Chlorbromuron
CAS No.:	13360-45-7
Molecular formula:	C₉H₁₀BRClN₂O₂
Molecular weight:	293.54 g/mol
SMILES:	CN(C(=O)NC1=CC(=C(C=C1)Br)Cl)OC
Structural class:
Other identifiers:	chlorbromuron Maloran

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	50mg	99%	360	RT	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 5.0266 -0.8128 0.2095 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7249 2.2451 -0.2082 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4642 1.2639 -0.3668 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8388 -1.9038 0.0599 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9529 0.2425 -0.1707 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2472 -0.1178 -0.1959 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 0.0167 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3091 1.0925 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9092 -1.2758 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9864 -0.6902 -0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 0.8697 -0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 -1.4986 0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 -0.4258 0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 -0.8791 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5766 1.8735 0.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 1.2102 -0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9219 2.0999 -0.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2906 -2.1574 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6441 -2.5155 0.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0765 -0.6439 -1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0418 -0.5977 0.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2828 -1.9532 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 2.9581 0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7368 1.6088 1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5217 1.5947 1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 11 1 0 0 0 0 3 6 1 0 0 0 0 3 15 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 9 12 2 0 0 0 0 9 18 1 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea

4.2 InChI

InChI=1S/C9H10BrClN2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)

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)