-
Name
4-CHLORO-3-(N-METHYLCARBAMOYL)PHENYLBORONIC ACID
- EINECS
- CAS No. 871332-65-9
- Density 1.37 g/cm3
- Solubility
- Melting Point 294-298℃
- Formula C8H9BClNO3
- Boiling Point
- Molecular Weight 213.43
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 4-CHLORO-3-(N-METHYLCARBAMOYL)PHENYLBORONIC ACID;N-METHYL 2-CHLORO-5-BORONOBENZAMIDE;N-Methyl 5-borono-2-chlorobenzamide;4-Chloro-3-(MethylcarbaMoyl)benzeneboronic acid, 98%;[4-chloro-3-(MethylcarbaMoyl)phenyl]boronic acid
- PSA 69.56000
- LogP -0.22970
Boronic acid,B-[4-chloro-3-[(methylamino)carbonyl]phenyl]- Specification
The Boronic acid,B-[4-chloro-3-[(methylamino)carbonyl]phenyl]- has CAS registry number 871332-65-9. It belongs to the product categories of Blocks; Boronic Acids; Carboxes. This chemical's molecular formula is C8H9BClNO3 and molecular weight is 213.43. What's more, its systematic name is [4-Chloro-3-(methylcarbamoyl)phenyl]boronic acid.
Physical properties of Boronic acid,B-[4-chloro-3-[(methylamino)carbonyl]phenyl]- are: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1.19; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 39.27; (8)ACD/KOC (pH 7.4): 26.38; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 69.56 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 51.13 cm3; (15)Molar Volume: 155.7 cm3; (16)Polarizability: 20.27×10-24cm3; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.37 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(c(c1)C(=O)NC)Cl)(O)O
(2)Std. InChI: InChI=1S/C8H9BClNO3/c1-11-8(12)6-4-5(9(13)14)2-3-7(6)10/h2-4,13-14H,1H3,(H,11,12)
(3)Std. InChIKey: SYZZWFMATUWETK-UHFFFAOYSA-N
Related Products
- Boronic acid, B-[4-(2-bromoethoxy)phenyl]-
- Boronic acid, B-[4-[(cyclohexylamino)carbonyl]-3-fluorophenyl]-
- Boronic acid, B-[4-[(cyclohexylmethylamino)carbonyl]phenyl]-
- Boronic acid, B-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride (1:1)
- Boronic acid,(2,4,5-trichlorophenyl)- (9CI)
- Boronic acid,(3-amino-5-nitrophenyl)- (9CI)
- Boronic acid,(3-fluoro-2-hydroxyphenyl)- (9CI)
- Boronic acid,(3-methoxy-2-pyridinyl)- (9CI)
- Boronic acid,(4-bromo-2-thienyl)- (9CI)
- Boronic acid,(4-methoxy-2,5-dimethylphenyl)- (9CI)
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