N,3-dimethyl-4-nitroaniline

N,3-dimethyl-4-nitroaniline

CAS: 52177-10-3

Formula: C8H10N2O2

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

IUPAC: N,3-dimethyl-4-nitroaniline

InChI: InChI=1S/C8H10N2O2/c1-6-5-7(9-2)3-4-8(6)10(11)12/h3-5,9H,1-2H3

Composition: C (57.82%), H (6.07%), N (16.86%), O (19.26%)

Molar Mass: 166.18

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	166.07422757
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GEELCTZCKMIRAO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.61
Topological Polar Surface Area	55.17
Polarizability	16.95
Ring Count	1
Rotatable Bond Count	2

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