4-Nitrobenzophenone

C13H9NO3CAS 1144-74-7227.22 g/mol

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KetoneNitro

Properties

Molecular formula
C13H9NO3
Molar mass
227.22 g/mol
Exact mass
227.0582 Da
Melting point
138 °C
logP
2.83Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1144-74-7
SMILES
O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIKey
ZYMCBJWUWHHVRX-UHFFFAOYSA-N
InChI
InChI=1S/C13H9NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H

Weigh it out

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Names and synonyms

7 names
  • Methanone, (4-nitrophenyl)phenyl-
  • Benzophenone, 4-nitro-
  • (4-Nitrophenyl)phenylmethanone
  • p-Nitrobenzophenone
  • 4-Nitrophenyl phenyl ketone
  • p-Nitrophenyl phenyl ketone
  • NSC 406623

Work with 4-Nitrobenzophenone

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

3,4'-Dinitrobenzophenone1469-74-576 % similar 4-Fluoro-4'-nitrobenzophenone2195-47-370 % similar 4-Chloro-4′-nitrobenzophenone7497-60-170 % similar 3,3′-Dinitrobenzophenone21222-05-964 % similar 2-Amino-5-nitrobenzophenone1775-95-762 % similar 2-Chloro-5-nitrobenzophenone34052-37-462 % similar Nitrobenzene98-95-361 % similar 4-Chloro-3-nitrobenzophenone56107-02-961 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Nitrobenzophenone2243-80-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook