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| CAS No.: | 1040400-87-0 |
|---|---|
| Name: | 2-AMINO-5-FLUOROBENZENEBORONIC ACID |
| Molecular Structure: | |
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| Formula: | C6H7BFNO2 |
| Molecular Weight: | 154.936 |
| Synonyms: | 2-Amino-5-fluorophenyl boronic;(2-Amino-5-fluorophenyl)boronic acid;2-Amino-5-fluorobenzeneboronic acid; |
| Density: | 1.34 g/cm3 |
| Boiling Point: | 357 °C at 760 mmHg |
| Flash Point: | 169.7 °C |
| PSA: | 66.48000 |
| LogP: | -0.33110 |
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Specification
The Boronic acid, B-(2-amino-5-fluorophenyl)-, with the CAS registry number 1040400-87-0, is also known as 2-Amino-5-fluorobenzeneboronic acid. It belongs to the product category of Boronic Acid. This chemical's molecular formula is C6H7BFNO2 and molecular weight is 154.93. What's more, its systematic name is (2-amino-5-fluorophenyl)boronic acid.
Physical properties of Boronic acid, B-(2-amino-5-fluorophenyl)- are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1.41; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 44.15; (8)ACD/KOC (pH 7.4): 23.53; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.48 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 37.01 cm3; (15)Molar Volume: 115.3 cm3; (16)Polarizability: 14.67×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 169.7 °C; (20)Enthalpy of Vaporization: 63.56 kJ/mol; (21)Boiling Point: 357 °C at 760 mmHg; (22)Vapour Pressure: 1.02E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cc(F)ccc1N
(2)InChI: InChI=1S/C6H7BFNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H,9H2
(3)InChIKey: ISZXCHNOGDNZSI-UHFFFAOYSA-N