chempirical

4-Methoxy-4'-nitrobiphenyl

C13H11NO3CAS 2143-90-0229.23 g/mol

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ON+OO−
EtherNitro

Properties

Molecular formula
C13H11NO3
Molar mass
229.23 g/mol
Exact mass
229.0739 Da
logP
3.27Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

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

Identifiers

CAS number
2143-90-0
SMILES
COC1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]
InChIKey
AUIINENVMPWGQF-UHFFFAOYSA-N
InChI
InChI=1S/C13H11NO3/c1-17-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15)16/h2-9H,1H3

Weigh it out

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Names and synonyms

12 names
  • 1-(4-Methoxyphenyl)-4-nitrobenzene
  • 4-Methoxy-4'-nitro-1,1'-biphenyl
  • 1-(4-Methoxyphenyl)-4-nitro-benzene
  • 4-(4'-Methoxyphenyl)nitrobenzene
  • 4-(4'-Nitrophenyl)anisole
  • 4-Methyoxy-4'-nitrobiphenyl
  • 4'-Nitro-4-methoxybiphenyl
  • 4'-Methoxy-4-nitro-biphenyl
  • 4-Methoxy-4'-nitro-biphenyl
  • 4-(4-Methoxyphenyl)nitrobenzene
  • 1-Methoxy-4-(4-nitrophenyl)-benzene
  • 4-Methoxy-4 inverted exclamation mark -nitrobiphenyl

Work with 4-Methoxy-4'-nitrobiphenyl

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

4-Nitroanisole100-17-489 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-167 % similar 1-(4-Methoxyphenyl)-4-(4-nitrophenyl)piperazine74852-61-267 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-360 % similar 1-Methoxy-3,5-dinitrobenzene5327-44-659 % similar 4-Nitro-1,1′-biphenyl92-93-358 % similar 3-Nitroanisole555-03-357 % similar 1,4-Dinitrobenzene100-25-456 % similar

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

Same formula

Phenyl 4-aminosalicylate133-11-9 3-(3-Amino-2-hydroxyphenyl)benzoic acid376592-93-7 Osalmid526-18-1

Elsewhere

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