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Boronic acid,B-[2-fluoro-5-[(methylamino)carbonyl]phenyl]-

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Name

Boronic acid,B-[2-fluoro-5-[(methylamino)carbonyl]phenyl]-

EINECS N/A
CAS No. 874289-40-4 Density 1.31 g/cm3
PSA 69.56000 LogP -0.74400
Solubility N/A Melting Point 174-176 °C
Formula C8H9BFNO3 Boiling Point N/A
Molecular Weight 196.974 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 874289-40-4 (2-FLUORO-5-(METHYLCARBAMOYL)BENZENEBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, [2-fluoro-5-[(methylamino)carbonyl]phenyl]- (9CI);[2-Fluoro-5-(methylcarbamoyl)phenyl]boronic acid;

 

Boronic acid,B-[2-fluoro-5-[(methylamino)carbonyl]phenyl]- Specification

The Boronic acid,B-[2-fluoro-5-[(methylamino)carbonyl]phenyl]- is an organic compound with the formula C8H9BFNO3. The systematic name of this chemical is [2-fluoro-5-(methylcarbamoyl)phenyl]boronic acid. With the CAS registry number 874289-40-4, it is also named as N-Methyl 3-borono-4-fluorobenzamide. The product's categories are Blocks; BoronicAcids.

Physical properties about Boronic acid,B-[2-fluoro-5-[(methylamino)carbonyl]phenyl]- are: (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): 0.95; (3)ACD/LogD (pH 7.4): 0.72; (4)#H bond acceptors: 4; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 69.56 Å2; (8)Index of Refraction: 1.533; (9)Molar Refractivity: 46.42 cm3; (10)Molar Volume: 149.3 cm3; (11)Polarizability: 18.4×10-24cm3; (12)Surface Tension: 46.8 dyne/cm; (13)Density: 1.31 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(ccc1F)C(=O)NC)(O)O
(2)InChI: InChI=1/C8H9BFNO3/c1-11-8(12)5-2-3-7(10)6(4-5)9(13)14/h2-4,13-14H,1H3,(H,11,12)
(3)InChIKey: YOQRSSHEHKHAGS-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H9BFNO3/c1-11-8(12)5-2-3-7(10)6(4-5)9(13)14/h2-4,13-14H,1H3,(H,11,12)
(5)Std. InChIKey: YOQRSSHEHKHAGS-UHFFFAOYSA-N

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