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Boronic acid,B-[4-[[(2-hydroxyethyl)amino]carbonyl]phenyl]-

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Name

Boronic acid,B-[4-[[(2-hydroxyethyl)amino]carbonyl]phenyl]-

EINECS N/A
CAS No. 850593-04-3 Density 1.31 g/cm3
PSA 89.79000 LogP -1.52060
Solubility N/A Melting Point 228-230 ºC
Formula C9H12BNO4 Boiling Point N/A
Molecular Weight 209.01 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 850593-04-3 (4-(2-HYDROXYETHYLCARBAMOYL)BENZENEBORONIC ACID 98) Hazard Symbols IrritantXi
Synonyms

Boronicacid, [4-[[(2-hydroxyethyl)amino]carbonyl]phenyl]- (9CI);4-(2-Hydroxyethylcarbamoyl)phenylboronic acid;N-2-Hydroxyethyl 4-boronobenzamide;

 

Boronic acid,B-[4-[[(2-hydroxyethyl)amino]carbonyl]phenyl]- Specification

The Boronic acid,B-[4-[[(2-hydroxyethyl)amino]carbonyl]phenyl]-, with the CAS registry number 850593-04-3, is also known as N-2-Hydroxyethyl 4-boronobenzamide. It belongs to the product categories of Blocks; Boronic Acids; Carboxes. This chemical's molecular formula is C9H12BNO4 and molecular weight is 209.01. What's more, its systematic name is [4-(2-hydroxyethylcarbamoyl)phenyl]boronic acid. 

Physical properties of Boronic acid,B-[4-[[(2-hydroxyethyl)amino]carbonyl]phenyl]- are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 89.79 Å2; (6)Index of Refraction: 1.576; (7)Molar Refractivity: 52.47 cm3; (8)Molar Volume: 158.5 cm3; (9)Polarizability: 20.8×10-24cm3; (10)Surface Tension: 59.6 dyne/cm; (11)Density: 1.31 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)NCCO)(O)O
(2)InChI: InChI=1S/C9H12BNO4/c12-6-5-11-9(13)7-1-3-8(4-2-7)10(14)15/h1-4,12,14-15H,5-6H2,(H,11,13)
(3)InChIKey: UEHHULJBSYEFDG-UHFFFAOYSA-N

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