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

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

CAS: 70499-98-8

Formula: C7H9N3O2

SMILES: CC1=CC(=CC(N)=C1N)[N+]([O-])=O

IUPAC: 3-methyl-5-nitrobenzene-1,2-diamine

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

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	JVORHWAOMZKGDF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.82
Topological Polar Surface Area	95.18
Polarizability	16.28
Ring Count	1
Rotatable Bond Count	1

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