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Boronic acid,B-[4-[[(3-chloropropyl)amino]carbonyl]phenyl]-

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Name

Boronic acid,B-[4-[[(3-chloropropyl)amino]carbonyl]phenyl]-

EINECS N/A
CAS No. 874460-03-4 Density 1.27 g/cm3
PSA 69.56000 LogP 0.11600
Solubility N/A Melting Point 169-171 °C
Formula C10H13BClNO3 Boiling Point N/A
Molecular Weight 241.48 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 874460-03-4 (4-(3-CHLOROPROPYLCARBAMOYL)BENZENEBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, [4-[[(3-chloropropyl)amino]carbonyl]phenyl]- (9CI);

 

Boronic acid,B-[4-[[(3-chloropropyl)amino]carbonyl]phenyl]- 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

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