CC1=CC=C(C=C1)[N+](=O)[O-]
CAS: 99-99-0
Name: 1-methyl-4-nitrobenzene
SMILES: CC1=CC=C(C=C1)[N+](=O)[O-]

Molecular Processing

Molecular formula
C7H7NO2
Molecular weight
137.14
Exact mass
137.0477
XLogP
1.9
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
37.83

Supplementary Information

InChIKey: ZPTVNYMJQHSSEA-UHFFFAOYSA-N
Synonyme
4-NITROTOLUENE1-Methyl-4-nitrobenzene99-99-0p-Nitrotoluene4-Nitrotoluol4-MethylnitrobenzeneBenzene, 1-methyl-4-nitro-Toluene, p-nitro-p-MethylnitrobenzeneNitrotoluenospara-NitrotoluolDTXSID5023792NCI-C60537para-nitrotolueneNCI 9579E88IMG14EXNSC-9579DTXCID203792CHEBI:35227p-nitrophenylmethaneRefChem:100171202-808-0Nitrotoluene, p-1-methyl-4-nitro-benzeneNSC 9579CHEMBL155320MFCD00007366p-Nitrotoluene StandardNitrotoluenos [Spanish]CAS-99-99-0
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