Boronic acid,B-[3-[[(3-bromopropyl)amino]carbonyl]phenyl]- supplier

Name
N-(3-BROMOPROPYL) 3-BORONOBENZAMIDE
EINECS
CAS No. 850567-42-9
Density 1.49 g/cm³
Solubility
Melting Point 97-99 ºC
Formula C₁₀H₁₃BBrNO₃
Boiling Point
Molecular Weight 285.93
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [3-[[(3-bromopropyl)amino]carbonyl]phenyl]- (9CI);[3-(3-Bromopropylcarbamoyl)phenyl]boronic acid;N-(3-Bromopropyl) 3-Boronobenzamide;
PSA 69.56000
LogP 0.27210

Boronic acid,B-[3-[[(3-bromopropyl)amino]carbonyl]phenyl]- Specification

The Boronic acid,B-[3-[[(3-bromopropyl)amino]carbonyl]phenyl]-, with the CAS registry number 850567-42-9, is also known as N-(3-Bromopropyl) 3-Boronobenzamide. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C₁₀H₁₃BBrNO₃ and molecular weight is 285.93. What's more, its systematic name is [3-(3-bromopropylcarbamoyl)phenyl]boronic acid.

Physical properties of Boronic acid,B-[3-[[(3-bromopropyl)amino]carbonyl]phenyl]- are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 1.42; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 69.56 Å²; (9)Index of Refraction: 1.577; (10)Molar Refractivity: 63.3 cm³; (11)Molar Volume: 190.7 cm³; (12)Polarizability: 25.09×10^-24cm³; (13)Surface Tension: 53.7 dyne/cm; (14)Density: 1.49 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)C(=O)NCCCBr)(O)O
(2)InChI: InChI=1S/C10H13BBrNO3/c12-5-2-6-13-10(14)8-3-1-4-9(7-8)11(15)16/h1,3-4,7,15-16H,2,5-6H2,(H,13,14)
(3)InChIKey: UCDZSVDQSVCTSO-UHFFFAOYSA-N

Product Name

N-(3-BROMOPROPYL) 3-BORONOBENZAMIDE

Boronic acid,B-[3-[[(3-bromopropyl)amino]carbonyl]phenyl]- Specification

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