CAS No.874460-03-4,4-(3-CHLOROPROPYLCARBAMOYL)BENZENEBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	874460-03-4
Name:	4-(3-CHLOROPROPYLCARBAMOYL)BENZENEBORONIC ACID

Formula:	C₁₀H₁₃BClNO₃
Molecular Weight:	241.48
Synonyms:	Boronicacid, [4-[[(3-chloropropyl)amino]carbonyl]phenyl]- (9CI);
Density:	1.27 g/cm³
Melting Point:	169-171 °C
Hazard Symbols:	Xi
PSA:	69.56000
LogP:	0.11600

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Specification

The Boronic acid,B-[4-[[(3-chloropropyl)amino]carbonyl]phenyl]- is an organic compound with the formula C₁₀H₁₃BClNO₃. With the CAS registry number 874460-03-4, the systematic name of this chemical is [4-(3-chloropropylcarbamoyl)phenyl]boronic acid.

Physical properties about Boronic acid,B-[4-[[(3-chloropropyl)amino]carbonyl]phenyl]- are: (1)ACD/LogP: 1.22; (2)ACD/LogD (pH 5.5): 1.22; (3)ACD/LogD (pH 7.4): 1.15; (4)#H bond acceptors: 4; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 7; (7)Polar Surface Area: 69.56 Å²; (8)Index of Refraction: 1.552; (9)Molar Refractivity: 60.4 cm³; (10)Molar Volume: 188.8 cm³; (11)Polarizability: 23.94×10^-24cm³; (12)Surface Tension: 50.1 dyne/cm; (13)Density: 1.27 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)NCCCCl)(O)O
(2)InChI: InChI=1/C10H13BClNO3/c12-6-1-7-13-10(14)8-2-4-9(5-3-8)11(15)16/h2-5,15-16H,1,6-7H2,(H,13,14)
(3)InChIKey: UYNOFJBHOAQAKS-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H13BClNO3/c12-6-1-7-13-10(14)8-2-4-9(5-3-8)11(15)16/h2-5,15-16H,1,6-7H2,(H,13,14)
(5)Std. InChIKey: UYNOFJBHOAQAKS-UHFFFAOYSA-N