Name: METHYL 4-AMINO-2-FLUOROBENZOATE
SKU: 73792-08-2

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Basic Information

Molecular Structure:
CAS No.:	73792-08-2
Name:	METHYL 4-AMINO-2-FLUOROBENZOATE
Article Data:	18

Formula:	C₈H₈FNO₂
Molecular Weight:	169.155
Synonyms:	Methyl 4-amino-2-fluorobenzoate;Methyl 2-fluoro-4-aminobenzoate;2-Fluoro-4-aminobenzoicacid methyl ester;
Density:	1.264 g/cm³
Boiling Point:	302.319 °C at 760 mmHg
Flash Point:	136.638 °C
PSA:	52.32000
LogP:	1.77570

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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^-24cm³; (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