4-Methyl-1-nitronaphthalene

C11H9NO2CAS 880-93-3187.20 g/mol

Open in Covalent MOL file
N+OO−
Nitro

Properties

Molecular formula
C11H9NO2
Molar mass
187.20 g/mol
Exact mass
187.0633 Da
logP
3.06Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
880-93-3
SMILES
CC1=CC=C(C2=CC=CC=C12)[N+](=O)[O-]
InChIKey
FRLVKAJKOYFHKQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7H,1H3

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Names and synonyms

8 names
  • 1-Methyl-4-nitronaphthalene
  • Naphthalene, 1-methyl-4-nitro-
  • 4-Nitro-1-methylnaphthalene
  • Naphthalene,1-methyl-4-nitro-
  • 1-Methyl-4-nitro-naphthalene
  • 4-Methyl-nitronaphthalene
  • 1-Methyl-4-nitronaphthalin
  • 1-Methyl-4-nitro naphthalene

Work with 4-Methyl-1-nitronaphthalene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Dinitronaphthalene6921-26-274 % similar 1,5-Dinitronaphthalene605-71-062 % similar 2-Nitrotoluene88-72-261 % similar 4-Nitro-1-naphthol605-62-959 % similar 1-Amino-4-nitronaphthalene776-34-159 % similar 2-Methyl-1-nitronaphthalene881-03-856 % similar 1-Nitronaphthalene86-57-755 % similar 3-Nitro-o-xylene83-41-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(1H-Pyrrol-1-yl)benzoic acid10333-68-3 6-Amino-2-naphthoic acid116668-47-4 Indole-3-acrylic acid1204-06-4 Benzylmaleimide1631-26-1 N-(4-Methylphenyl)maleimide1631-28-3 4-(1H-Pyrrol-1-yl)benzoic acid22106-33-8 1-Acetylindole-3-carboxaldehyde22948-94-3 8-Acetoxyquinoline2598-29-0

Elsewhere

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