chempirical

Phenyl-2-nitropropene

C9H9NO2CAS 705-60-2163.18 g/mol

Open in Covalent MOL file
N+OO−
AlkeneNitro

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
Melting point
65–66 °C
logP
2.32Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
705-60-2
SMILES
CC(=Cc1ccccc1)[N+](=O)[O-]
InChIKey
WGSVFWFSJDAYBM-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all
  • Benzene, (2-nitro-1-propen-1-yl)-
  • Benzene, (2-nitropropenyl)-
  • Benzene, (2-nitro-1-propenyl)-
  • (2-Nitro-1-propen-1-yl)benzene
  • (2-Nitropropenyl)benzene
  • β-Methyl-β-nitrostyrene
  • 1-Phenyl-2-nitro-2-methylethene
  • 1-Phenyl-2-nitro-1-propene
  • 2-Nitro-1-phenyl-1-propene
  • 1-Phenyl-2-nitropropene
  • 2-Nitro-1-phenylpropene
  • (2-Nitro-1-propenyl)benzene
  • 2-Nitro-3-phenyl-2-propene
  • NSC 2014
  • 1-(2-Nitropropenyl)benzene
  • 1-(2-Nitroprop-1-enyl)benzene
  • trans-β-Methyl nitrostyrene

Work with Phenyl-2-nitropropene

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

1,2-Dimethoxy-4-(2-nitro-1-propen-1-yl)benzene122-47-456 % similar (2-Methyl-1-propen-1-yl)benzene768-49-047 % similar α-Methylcinnamaldehyde101-39-344 % similar 3-(Phenylmethylene)-2,4-pentanedione4335-90-444 % similar 3-Methyl-4-phenyl-3-buten-2-one1901-26-443 % similar α-Methylcinnamic acid1199-77-541 % similar β-Nitrostyrene102-96-540 % similar 2-(Acetylamino)-3-phenyl-2-propenoic acid5469-45-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Diacetylpyridine1129-30-2 1-Phenyl-1,2-propanedione 2-oxime119-51-7 4-Acetamidobenzaldehyde122-85-0 (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone132127-34-5 2-Hydroxy-7,8-dihydro-5(6H)-quinolinone15450-69-8 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-7

Elsewhere

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