2,4-dimethoxy-3-methyl-5-nitroaniline

2,4-dimethoxy-3-methyl-5-nitroaniline

CAS: 704877-30-5

Formula: C9H12N2O4

SMILES: COC1=C(N)C=C(C(OC)=C1C)[N+]([O-])=O

IUPAC: 2,4-dimethoxy-3-methyl-5-nitroaniline

InChI: InChI=1S/C9H12N2O4/c1-5-8(14-2)6(10)4-7(11(12)13)9(5)15-3/h4H,10H2,1-3H3

Composition: C (50.94%), H (5.70%), N (13.20%), O (30.16%)

Molar Mass: 212.205

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.079706874
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	LXVCBARZMZHCJB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.05
Topological Polar Surface Area	87.62
Polarizability	20.23
Ring Count	1
Rotatable Bond Count	3

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