Boronic acid,B-[3-chloro-4-[(cyclopropylamino)carbonyl]phenyl]- supplier

Name
3-CHLORO-4-(CYCLOPROPYLCARBAMOYL)PHENYLBORONIC ACID
EINECS
CAS No. 850589-44-5
Density 1.4 g/cm³
Solubility
Melting Point 216-220 °C
Formula C₁₀H₁₁BClNO₃
Boiling Point
Molecular Weight 239.466
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [3-chloro-4-[(cyclopropylamino)carbonyl]phenyl]- (9CI);[3-Chloro-4-(cyclopropylcarbamoylcarbonyl)phenyl]boronic acid;N-Cyclopropyl 2-chloro-4-boronobenzamide;
PSA 69.56000
LogP 0.30290

Boronic acid,B-[3-chloro-4-[(cyclopropylamino)carbonyl]phenyl]- Specification

The systematic name of Boronic acid,B-[3-chloro-4-[(cyclopropylamino)carbonyl]phenyl]- is [3-chloro-4-(cyclopropylcarbamoyl)phenyl]boronic acid. With the CAS registry number 850589-44-5, it is also named as N-Cyclopropyl 2-chloro-4-boronobenzamide. The product's categories are Blocks; Boronic Acids; Carboxes. In addition, its molecular formula is C₁₀H₁₁BClNO₃ and its molecular weight is 239.46.

The other characteristics of Boronic acid,B-[3-chloro-4-[(cyclopropylamino)carbonyl]phenyl]- can be summarized as: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.39; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 69.56 Å²; (9)Index of Refraction: 1.601; (10)Molar Refractivity: 58.33 cm³; (11)Molar Volume: 170.2 cm³; (12)Polarizability: 23.12×10^-24cm³; (13)Surface Tension: 57.7 dyne/cm; (14)Density: 1.4 g/cm³; (15)Melting Point: 216-220 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: B(c1ccc(c(c1)Cl)C(=O)NC2CC2)(O)O
(2)InChI: InChI=1/C10H11BClNO3/c12-9-5-6(11(15)16)1-4-8(9)10(14)13-7-2-3-7/h1,4-5,7,15-16H,2-3H2,(H,13,14)
(3)InChIKey: TUPWHDSMIIRKLY-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H11BClNO3/c12-9-5-6(11(15)16)1-4-8(9)10(14)13-7-2-3-7/h1,4-5,7,15-16H,2-3H2,(H,13,14)
(5)Std. InChIKey: TUPWHDSMIIRKLY-UHFFFAOYSA-N

Product Name

3-CHLORO-4-(CYCLOPROPYLCARBAMOYL)PHENYLBORONIC ACID

Boronic acid,B-[3-chloro-4-[(cyclopropylamino)carbonyl]phenyl]- Specification

Related Products

Hot Products