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CAS No.: | 103877-75-4 |
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Name: | 3-AMINO-5-FLUORO-4-METHYLBENZOIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H8FNO2 |
Molecular Weight: | 169.15 |
Synonyms: | 3-Amino-5-fluoro-4-methylbenzoic acid;5-Amino-3-fluoro-4-methylbenzoic acid; |
Density: | 1.356 g/cm3 |
Boiling Point: | 365 °C at 760 mmHg |
Flash Point: | 174.5 °C |
PSA: | 63.32000 |
LogP: | 1.99570 |
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The Benzoic acid,3-amino-5-fluoro-4-methyl-, with the CAS registry number 103877-75-4, is also known as 5-Amino-3-fluoro-4-methylbenzoic acid. It belongs to the product category of Phenylacetic acid. This chemical's molecular formula is C8H8FNO2 and molecular weight is 169.15. What's more, its systematic name is 3-Amino-5-fluoro-4-methylbenzoic acid.
Physical properties of Benzoic acid,3-amino-5-fluoro-4-methyl- are: (1)ACD/LogP: 1 .91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.64; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.92; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 63.32 Å2; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 42.23 cm3; (14)Molar Volume: 124.7 cm3; (15)Polarizability: 16.74×10-24 cm3; (16)Surface Tension: 55.2 dyne/cm; (17)Density: 1.356 g/cm3; (18)Flash Point: 174.5 °C; (19)Enthalpy of Vaporization: 64.49 kJ/mol; (20)Boiling Point: 365 °C at 760 mmHg; (21)Vapour Pressure: 5.74E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(N)c1C)C(O)=O
(2)InChI: InChI=1/C8H8FNO2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,10H2,1H3,(H,11,12)
(3)InChIKey: AGSFFMYPNCKQCN-UHFFFAOYAM