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276669-74-0

Basic Information
CAS No.: 276669-74-0
Name: 3-(2,2,2-TRICHLOROACETAMIDO)BENZENEBORONIC ACID
Molecular Structure:
Molecular Structure of 276669-74-0 (3-(2,2,2-TRICHLOROACETAMIDO)BENZENEBORONIC ACID)
Formula: C8H7BCl3NO3
Molecular Weight: 282.32
Synonyms: 3-(2,2,2-Trichloroacetamido)benzeneboronic acid;3-(2,2,2-Trichloroacetamido)phenylboronic acid;3-(2,2,2-Trichloroacetamido)benzeneboronic acid 97%;
Density: 1.572 g/cm3
Melting Point: 220-222 °C
Hazard Symbols: IrritantXi
PSA: 69.56000
LogP: 0.74810
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Specification

The CAS register number of Boronic acid,[3-[(trichloroacetyl)amino]phenyl]- (9CI) is 276669-74-0. It also can be called as 3-(2,2,2-Trichloroacetamido)benzeneboronic acid and the systematic name about this chemical is {3-[(trichloroacetyl)amino]phenyl}boronic acid. The molecular formula about this chemical is C8H7BCl3NO3 and the molecular weight is 282.32. It belongs to the following product categories which include blocks; BoronicAcids and so on. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes. If you want to store it, please keep cold.

Physical properties about Boronic acid,[3-[(trichloroacetyl)amino]phenyl]- (9CI) are: (1)ACD/LogP: 2.56; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 200; (5)ACD/BCF (pH 7.4): 135; (6)ACD/KOC (pH 5.5): 1539; (7)ACD/KOC (pH 7.4): 1041; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 69.56 Å2; (12)Index of Refraction: 1.593; (13)Molar Refractivity: 60.823 cm3; (14)Molar Volume: 179.567 cm3; (15)Polarizability: 24.112x10-24cm3; (16)Surface Tension: 58.478 dyne/cm; (17)Density: 1.572 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cccc(c1)B(O)O)C(Cl)(Cl)Cl
(2)InChI: InChI=1/C8H7BCl3NO3/c10-8(11,12)7(14)13-6-3-1-2-5(4-6)9(15)16/h1-4,15-16H,(H,13,14)
(3)InChIKey: RQEOGMVEBAPFSP-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H7BCl3NO3/c10-8(11,12)7(14)13-6-3-1-2-5(4-6)9(15)16/h1-4,15-16H,(H,13,14)
(5)Std. InChIKey: RQEOGMVEBAPFSP-UHFFFAOYSA-N