4-methoxy-2-methyl-5-nitroaniline

4-methoxy-2-methyl-5-nitroaniline

CAS: 123343-96-4

Formula: C8H10N2O3

SMILES: COC1=CC(C)=C(N)C=C1[N+]([O-])=O

IUPAC: 4-methoxy-2-methyl-5-nitroaniline

InChI: InChI=1S/C8H10N2O3/c1-5-3-8(13-2)7(10(11)12)4-6(5)9/h3-4H,9H2,1-2H3

Composition: C (52.74%), H (5.53%), N (15.38%), O (26.35%)

Molar Mass: 182.179

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.06914219
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	UKOJKBPYZLLFOL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.58
Topological Polar Surface Area	78.39
Polarizability	17.67
Ring Count	1
Rotatable Bond Count	2

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