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