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203916-57-8

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Basic Information
CAS No.: 203916-57-8
Name: Benzoic acid, 5-amino-2,3,4-trifluoro- (9CI)
Article Data: 2
Molecular Structure:
Molecular Structure of 203916-57-8 (Benzoic acid, 5-amino-2,3,4-trifluoro- (9CI))
Formula: C7H4F3NO2
Molecular Weight: 191.109
Synonyms: 5-Amino-2,3,4-trifluorobenzoic acid;
Density: 1.635 g/cm3
Boiling Point: 333.546 °C at 760 mmHg
Flash Point: 155.523 °C
PSA: 63.32000
LogP: 1.96550
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Specification

The Benzoic acid,5-amino-2,3,4-trifluoro- has the CAS registry number 203916-57-8. This chemical's molecular formula is C7H4F3NO2 and molecular weight is 191.11. What's more, its systematic name is 5-Amino-2,3,4-trifluorobenzoic acid and it belongs to the product categories of Amino acid. 

Physical properties of Benzoic acid,5-amino-2,3,4-trifluoro- are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 63.32 Å2; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 37.4 cm3; (13)Molar Volume: 116.872 cm3; (14)Polarizability: 14.827×10-24 cm3; (15)Surface Tension: 53.857 dyne/cm; (16)Density: 1.635 g/cm3; (17)Flash Point: 155.523 °C; (18)Enthalpy of Vaporization: 60.842 kJ/mol; (19)Boiling Point: 333.546 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(F)c(cc(N)c1F)C(=O)O
(2)InChI: InChI=1/C7H4F3NO2/c8-4-2(7(12)13)1-3(11)5(9)6(4)10/h1H,11H2,(H,12,13)
(3)InChIKey: LXBTXBZKLHORRQ-UHFFFAOYSA-N