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CAS No.: | 31930-18-4 |
---|---|
Name: | 2-AMINO-4-NITROBENZAMIDE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C7H7N3O3 |
Molecular Weight: | 181.151 |
Synonyms: | 2-Amino-4-nitrobenzamide; |
Density: | 1.482 g/cm3 |
Melting Point: | 222-224 °C |
Boiling Point: | 389.54 °C at 760 mmHg |
Flash Point: | 189.388 °C |
PSA: | 114.93000 |
LogP: | 2.08060 |
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The Benzamide,2-amino-4-nitro-, with the CAS registry number 31930-18-4, is also known as 2-Amino-4-nitrobenzamide. This chemical's molecular formula is C7H7N3O3 and molecular weight is 181.1488.
Physical properties about Benzamide,2-amino-4-nitro-are: (1)ACD/LogP: 1.17; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 112; (8)ACD/KOC (pH 7.4): 112; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 114.93 Å2; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 45.965 cm3; (15)Molar Volume: 122.256 cm3; (16)Surface Tension: 77.741 dyne/cm; (17)Density: 1.482 g/cm3; (18)Flash Point: 189.388 °C; (19)Enthalpy of Vaporization: 63.889 kJ/mol; (20)Boiling Point: 389.54 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)c1ccc(cc1N)N(=O)=O
(2) InChI: InChI=1/C7H7N3O3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,8H2,(H2,9,11)
(3) InChIKey: FHIFCKSBNKKCJM-UHFFFAOYAN