Basic Information | Post buying leads | Suppliers |
Name |
5-Carbamoyl-2-fluorobenzeneboronic acid |
EINECS | N/A |
CAS No. | 874289-39-1 | Density | 1.41g/cm3 |
PSA | 83.55000 | LogP | -0.69530 |
Solubility | N/A | Melting Point |
192-194 °C |
Formula | C7H7BFNO3 | Boiling Point | 369 °C at 760 mmHg |
Molecular Weight | 182.947 | Flash Point | 176.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, [5-(aminocarbonyl)-2-fluorophenyl]- (9CI);(5-Carbamoyl-2-fluorophenyl)boronic acid;boronic acid, B-[5-(aminocarbonyl)-2-fluorophenyl]-;5-Carbamoyl-2-fluorobenzeneboronic acid; |
The 5-Carbamoyl-2-fluorobenzeneboronic acid, with the CAS registry number 874289-39-1, has the systematic name of (5-carbamoyl-2-fluoro-phenyl)boronic acid. It belongs to the product categories of Blocks and Boronic Acids, and the chemical should keep cold. The molecular formula of the chemical is C7H7BFNO3.
The characteristics of 5-Carbamoyl-2-fluorobenzeneboronic acid are as followings: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): 0.07 ; (5)#H bond acceptors: 4; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 83.55 Å2; (9)Index of Refraction: 1.56; (10)Molar Refractivity: 41.76 cm3; (11)Molar Volume: 128.9 cm3; (12)Polarizability: 16.55×10-24cm3; (13)Surface Tension: 55.6 dyne/cm; (14)Density: 1.41 g/cm3; (15)Flash Point: 176.9 °C; (16)Enthalpy of Vaporization: 64.95 kJ/mol; (17)Boiling Point: 369 °C at 760 mmHg; (18)Vapour Pressure: 4.28E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: B(c1cc(ccc1F)C(=O)N)(O)O
(2)InChI: InChI=1/C7H7BFNO3/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,12-13H,(H2,10,11)
(3)InChIKey: NDVPMVJEURRBQM-UHFFFAOYAS