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126480-32-8

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Basic Information
CAS No.: 126480-32-8
Name: 2-amino-3-methoxy-4-fluorobenzoic acid
Molecular Structure:
Molecular Structure of 126480-32-8 (2-amino-3-methoxy-4-fluorobenzoic acid)
Formula: C8H8FNO3
Molecular Weight: 185.1524
Synonyms: 2-Amino-3-methoxy-4-fluorobenzoic acid;
Density: 1.398 g/cm3
Boiling Point: 346.855 °C at 760 mmHg
Flash Point: 163.572 °C
PSA: 72.55000
LogP: 1.69590
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Specification

The 2-Amino-4-fluoro-3-methoxybenzoic acid, with the CAS registry number of 126480-32-8, is also known as 2-Amino-3-methoxy-4-fluorobenzoic acid. This chemical's molecular formula is C8H8FNO3 and molecular weight is 185.1524. What's more, its systematic name is called 2-Amino-4-fluoro-3-methoxy-benzoic acid.

Physical properties about 2-Amino-4-fluoro-3-methoxybenzoic acid are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.238; (4)ACD/BCF (pH 5.5): 2.66; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 32.162; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 72.55 Å2; (12)Index of Refraction: 1.58; (13)Molar Refractivity: 44.091 cm3; (14)Molar Volume: 132.455 cm3; (15)Surface Tension: 53.981 dyne/cm; (16)Density: 1.398 g/cm3; (17)Flash Point: 163.572 °C; (18)Enthalpy of Vaporization: 62.378 kJ/mol; (19)Boiling Point: 346.855 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1c(ccc(c1N)C(=O)O)F
(2) InChI: InChI=1/C8H8FNO3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)
(3) InChIKey: GDMDGZTWBKBRRA-UHFFFAOYAZ