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60912-51-8

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Basic Information
CAS No.: 60912-51-8
Name: 3-BROMO-2-NITRO-5-AMINOBENZOIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 60912-51-8 (3-BROMO-2-NITRO-5-AMINOBENZOIC ACID)
Formula: C7H5BrN2O4
Molecular Weight: 261.03
Synonyms: 5-Amino-3-bromo-2-nitrobenzoic acid;3-Bromo-2-nitro-5-aminobenzoic acid;
Density: 1.973 g/cm3
Boiling Point: 468.1 °C at 760 mmHg
Flash Point: 236.9 °C
PSA: 109.14000
LogP: 2.74210
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Specification

The Benzoic acid,5-amino-3-bromo-2-nitro-, with the CAS registry number 60912-51-8, is also known as 3-Bromo-2-nitro-5-aminobenzoic acid. This chemical's molecular formula is C7H5BrN2O4 and molecular weight is 261.03. What's more, its systematic name is 5-Amino-3-bromo-2-nitrobenzoic acid and it belongs to the product category of API Intermediates. 

Physical properties of Benzoic acid,5-amino-3-bromo-2-nitro- are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.81; (4)ACD/LogD (pH 7.4): -0.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 75.36 Å2; (13)Index of Refraction: 1.709; (14)Molar Refractivity: 51.65 cm3; (15)Molar Volume: 132.2 cm3; (16)Polarizability: 20.47×10-24 cm3; (17)Surface Tension: 84.6 dyne/cm; (18)Density: 1.973 g/cm3; (19)Flash Point: 236.9 °C; (20)Enthalpy of Vaporization: 76.93 kJ/mol; (21)Boiling Point: 468.1 °C at 760 mmHg; (22)Vapour Pressure: 1.45E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(cc(cc1Br)N)C(=O)O
(2)InChI: InChI=1/C7H5BrN2O4/c8-5-2-3(9)1-4(7(11)12)6(5)10(13)14/h1-2H,9H2,(H,11,12)
(3)InChIKey: VECCFFGGNNEGSY-UHFFFAOYSA-N