N1-methyl-5-nitrobenzene-1,2-diamine

N1-methyl-5-nitrobenzene-1,2-diamine

CAS: 95576-84-4

Formula: C7H9N3O2

SMILES: CNC1=C(N)C=CC(=C1)[N+]([O-])=O

IUPAC: N1-methyl-5-nitrobenzene-1,2-diamine

InChI: InChI=1S/C7H9N3O2/c1-9-7-4-5(10(11)12)2-3-6(7)8/h2-4,9H,8H2,1H3

Composition: C (50.29%), H (5.43%), N (25.14%), O (19.14%)

Molar Mass: 167.168

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	167.069476542
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	NVNGTTDFLMOBMZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.27
Topological Polar Surface Area	81.19
Polarizability	16.35
Ring Count	1
Rotatable Bond Count	2

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95%	<5 Days	95576-84-4		$1,404.00-$3,510.00$1,404.00$2,376.00$3,510.00