Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzoic acid,4-amino-2-fluoro-, methyl ester |
EINECS | N/A |
CAS No. | 73792-08-2 | Density | 1.264 g/cm3 |
PSA | 52.32000 | LogP | 1.77570 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H8FNO2 | Boiling Point | 302.319 °C at 760 mmHg |
Molecular Weight | 169.155 | Flash Point | 136.638 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 4-amino-2-fluorobenzoate;Methyl 2-fluoro-4-aminobenzoate;2-Fluoro-4-aminobenzoicacid methyl ester; |
Article Data | 18 |
The Benzoic acid,4-amino-2-fluoro-, methyl ester, with the CAS registry number 73792-08-2, is also known as 2-Fluoro-4-aminobenzoicacid methyl ester. This chemical's molecular formula is C8H8FNO2 and molecular weight is 169.15. What's more, its systematic name is Methyl 4-amino-2-fluorobenzoate.
Physical properties of Benzoic acid,4-amino-2-fluoro-, methyl ester are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 169; (8)ACD/KOC (pH 7.4): 169; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.32 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 42.256 cm3; (15)Molar Volume: 133.816 cm3; (16)Polarizability: 16.752×10-24 cm3; (17)Surface Tension: 44.223 dyne/cm; (18)Density: 1.264 g/cm3; (19)Flash Point: 136.638 °C; (20)Enthalpy of Vaporization: 54.253 kJ/mol; (21)Boiling Point: 302.319 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=C(C=C(C=C1)N)F
(2)InChI: InChI=1S/C8H8FNO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,10H2,1H3
(3)InChIKey: BPAKMNNACPYTAY-UHFFFAOYSA-N