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| CAS No.: | 873566-74-6 |
|---|---|
| Name: | 5-AMINO-2-FLUOROPHENYLBORONIC ACID |
| Molecular Structure: | |
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| Formula: | C6H7BFNO2 |
| Molecular Weight: | 154.936 |
| Synonyms: | Boronicacid, (5-amino-2-fluorophenyl)- (9CI);2-Fluoro-5-aminophenyl boronic acid; |
| Density: | 1.34 g/cm3 |
| Boiling Point: | 382.1 °C at 760 mmHg |
| Flash Point: | 184.9 °C |
| PSA: | 66.48000 |
| LogP: | -0.33110 |
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Specification
The CAS registry number of Boronic acid,B-(5-amino-2-fluorophenyl)- is 873566-74-6. The IUPAC name is (5-amino-2-fluorophenyl)boronic acid. In addition, the molecular formula is C6H7BFNO2 and the molecular weight is 154.93. What's more, it belongs to the class of API Intermediates. And should be stored in a cool and dry place.
Physical properties about Boronic acid,B-(5-amino-2-fluorophenyl)- are: (1)ACD/LogP: 0.52; (2)ACD/LogD (pH 5.5): 0.51; (3)ACD/LogD (pH 7.4): 0.4; (4)ACD/BCF (pH 5.5): 1.43; (5)ACD/BCF (pH 7.4): 1.12; (6)ACD/KOC (pH 5.5): 44.59; (7)ACD/KOC (pH 7.4): 34.92; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 21.7Å2; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 37.01 cm3; (14)Molar Volume: 115.3 cm3; (15)Polarizability: 14.67 ×10-24cm3; (16)Surface Tension: 50.1 dyne/cm; (17)Density: 1.34 g/cm3; (18)Flash Point: 184.9 °C; (19)Enthalpy of Vaporization: 66.51 kJ/mol; (20)Boiling Point: 382.1 °C at 760 mmHg; (21)Vapour Pressure: 1.6E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(N)cc1B(O)O
(2)InChI: InChI=1/C6H7BFNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,10-11H,9H2
(3)InChIKey: CDZMVORRMKESPD-UHFFFAOYAU