CC1=C(C=CC(=C1C)OC)[N+](=O)[O-]
CAS: 81029-03-0
Nombre: 1-methoxy-2,3-dimethyl-4-nitrobenzene
SMILES: CC1=C(C=CC(=C1C)OC)[N+](=O)[O-]

Molecular Processing

Molecular formula
C9H11NO3
Molecular weight
181.19
Exact mass
181.0739
XLogP
2.22
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
49.12

Supplementary Information

InChIKey: DUBFMQLUMHKYOX-UHFFFAOYSA-N
Sinónimos
2,3-Dimethyl-4-nitroanisole1-Methoxy-2,3-dimethyl-4-nitrobenzene2,3-Dimethyl-p-nitroanisole4-Methoxy-2,3-dimethylnitrobenzeneBenzene, 1-methoxy-2,3-dimethyl-4-nitro-GPU9ZBM6V5EINECS 279-674-54-methoxy-2,3-dimethyl-1-nitrobenzeneDTXSID00230865RefChem:81830DTXCID30153356279-674-5DUBFMQLUMHKYOX-UHFFFAOYSA-N81029-03-0MFCD000071633-Methoxy-6-nitro-o-xylene1-METHOXY-2,3-DIMETHYL-4-NITRO-BENZENEUNII-GPU9ZBM6V5SCHEMBL4466194SCHEMBL31077739SBB0644892,3-Dimethyl-4-nitroanisole, 95%AKOS015851690AC-3794CS-W017160AS-63160BP-10023SY1061711-Methoxy-2,3-dimethyl-4-nitrobenzene #DB-019780
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