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Benzoic acid,4-amino-2-fluoro-, methyl ester

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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 Molecular Structure of 73792-08-2 (METHYL 4-AMINO-2-FLUOROBENZOATE) Hazard Symbols N/A
Synonyms

Methyl 4-amino-2-fluorobenzoate;Methyl 2-fluoro-4-aminobenzoate;2-Fluoro-4-aminobenzoicacid methyl ester;

Article Data 18

Benzoic acid,4-amino-2-fluoro-, methyl ester Specification

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

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