Name: 2-AMINO-3-BROMO-5-FLUOROBENZOIC ACID
SKU: 259269-84-6

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Basic Information

Molecular Structure:
CAS No.:	259269-84-6
Name:	2-AMINO-3-BROMO-5-FLUOROBENZOIC ACID
Article Data:	5

Formula:	C₇H₅BrFNO₂
Molecular Weight:	234.025
Synonyms:	BUTTPARK 35\07-04;2-Amino-3-bromo-5-fluorobenzoic acid;
Density:	1.877 g/cm³
Boiling Point:	344 °C at 760 mmHg
Flash Point:	161.8 °C
Hazard Symbols:	Xi
PSA:	63.32000
LogP:	2.44980

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Specification

The Benzoic acid, 2-amino-3-bromo-5-fluoro- has the CAS registry number 259269-84-6. This chemical's molecular formula is C₇H₅BrFNO₂ and molecular weight is 234.02. What's more, its systematic name is 2-amino-3-bromo-5-fluorobenzoic acid.

Physical properties of Benzoic acid, 2-amino-3-bromo-5-fluoro- are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)CD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 21.35; (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: 29.54 Å²; (11)Index of Refraction: 1.643; (12)Molar Refractivity: 45.1 cm³; (13)Molar Volume: 124.6 cm³; (14)Polarizability: 17.88×10^-24cm³; (15)Surface Tension: 64.2 dyne/cm; (16)Density: 1.877 g/cm³; (17)Flash Point: 161.8 °C; (18)Enthalpy of Vaporization: 62.05 kJ/mol; (19)Boiling Point: 344 °C at 760 mmHg; (20)Vapour Pressure: 2.59E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1Br)N)C(=O)O)F
(2)InChI: InChI=1S/C7H5BrFNO2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,10H2,(H,11,12)
(3)InChIKey: LTOCPZGBNWZMBA-UHFFFAOYSA-N