4-(Benzoylamino)benzeneboronic acid supplier

Name
4-(Benzoylamino)benzeneboronic acid
EINECS
CAS No. 397843-80-0
Article Data4
CAS DataBase
Density 1.28 g/cm³
Solubility
Melting Point 194-196 °C
Formula C₁₃H₁₂BNO₃
Boiling Point
Molecular Weight 241.05
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-BENZAMIDOPHENYLBORONIC ACID
PSA 69.56000
LogP 0.69170

4-(Benzoylamino)benzeneboronic acid Specification

The 4-(Benzoylamino)benzeneboronic acid is an organic compound with the formula C₁₃H₁₂BNO₃. The systematic name of this chemical is {4-[(phenylcarbonyl)amino]phenyl}boronic acid. With the CAS registry number 397843-80-0, it is also named as boronic acid, B-[4-(benzoylamino)phenyl]-. The product's categories are Blocks; BoronicAcids.

Physical properties about 4-(Benzoylamino)benzeneboronic acid are: (1)ACD/LogP: 1.99; (2)ACD/LogD (pH 5.5): 1.99; (3)ACD/LogD (pH 7.4): 1.97; (4)ACD/BCF (pH 5.5): 19.18; (5)ACD/BCF (pH 7.4): 18.21; (6)ACD/KOC (pH 5.5): 288.27; (7)ACD/KOC (pH 7.4): 273.72; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.77 Å²; (12)Index of Refraction: 1.623; (13)Molar Refractivity: 66.39 cm³; (14)Molar Volume: 188.2 cm³; (15)Polarizability: 26.32×10^-24cm³; (16)Surface Tension: 57 dyne/cm; (17)Density: 1.28 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)B(O)O)c2ccccc2
(2)InChI: InChI=1/C13H12BNO3/c16-13(10-4-2-1-3-5-10)15-12-8-6-11(7-9-12)14(17)18/h1-9,17-18H,(H,15,16)
(3)InChIKey: FWZVIUZIYYIKRK-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C13H12BNO3/c16-13(10-4-2-1-3-5-10)15-12-8-6-11(7-9-12)14(17)18/h1-9,17-18H,(H,15,16)
(5)Std. InChIKey: FWZVIUZIYYIKRK-UHFFFAOYSA-N

Product Name

4-(Benzoylamino)benzeneboronic acid

4-(Benzoylamino)benzeneboronic acid Specification

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