Name: 3-NITRO-BENZENECARBOXIMIDAMIDE
SKU: 3459-99-2

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Basic Information

Molecular Structure:
CAS No.:	3459-99-2
Name:	3-NITRO-BENZENECARBOXIMIDAMIDE
Article Data:	1

Formula:	C₇H₇N₃O₂
Molecular Weight:	165.151
Synonyms:	Benzamidine,m-nitro- (7CI,8CI);3-Nitrobenzamidine;m-Nitrobenzamidine;3-Nitro-benzenecarboximidamide;3-Nitrobenzenecarbimidamide;
Density:	1.42 g/cm³
Boiling Point:	301.7 °C at 760 mmHg
Flash Point:	136.3 °C
PSA:	95.69000
LogP:	2.20210

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Specification

The CAS register number of 3-Nitrobenzimidamide is 3459-99-2. It also can be called as 3-Nitrobenzamidine and the systematic name about this chemical is 3-nitrobenzenecarboximidamide. The molecular formula about this chemical is C₇H₇N₃O₂ and the molecular weight is 165.15. It belongs to the following product category which includes pharmacetical.

Physical properties about 3-Nitrobenzimidamide are: (1)ACD/LogP: 0.72; (2)ACD/LogD (pH 5.5): -1.28; (3)ACD/LogD (pH 7.4): -1.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 61.42 Å²; (12)Index of Refraction: 1.641; (13)Molar Refractivity: 41.74 cm³; (14)Molar Volume: 115.5 cm³; (15)Polarizability: 16.54x10^-24cm³; (16)Surface Tension: 66 dyne/cm; (17)Density: 1.42 g/cm³; (18)Flash Point: 136.3 °C; (19)Enthalpy of Vaporization: 54.19 kJ/mol; (20)Boiling Point: 301.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00103 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(C(=[N@H])N)ccc1
(2)InChI: InChI=1/C7H7N3O2/c8-7(9)5-2-1-3-6(4-5)10(11)12/h1-4H,(H3,8,9)
(3)InChIKey: BAAYGBNLZPDGJS-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H7N3O2/c8-7(9)5-2-1-3-6(4-5)10(11)12/h1-4H,(H3,8,9)
(5)Std. InChIKey: BAAYGBNLZPDGJS-UHFFFAOYSA-N