Text Search
Structure Search

2-methyl-4-nitroanisole

2-methyl-4-nitroanisole

CAS: 50741-92-9

Formula: C8H9NO3

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

IUPAC: 1-methoxy-2-methyl-4-nitrobenzene

InChI: InChI=1S/C8H9NO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3

Composition: C (57.48%), H (5.43%), N (8.38%), O (28.71%)

Molar Mass: 167.164

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 167.058243154
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QOZMIJZYJZQOBV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.88
Topological Polar Surface Area 52.37
Polarizability 16.5
Ring Count 1
Rotatable Bond Count 2

Suppliers

No suppliers are currently stocking this item.