Basic information
- CAS
24721-24-2- Standard SMILES
O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1- InChIKey
SMFBODMWKWBFOK-MDZDMXLPSA-N- Molecular formula
- C15H11NO3
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.07389321
Names & identifiers
- Preferred name
- 2-Propen-1-one, 3-(3-nitrophenyl)-1-phenyl-
- IUPAC
- (E)-3-(3-nitrophenyl)-1-phenylprop-2-en-1-one
- English name
- 3-Nitro-trans-chalcone
- Molecular formula
- C15H11NO3
- Molecular weight
- 253.25
Names & synonyms
3-(3-nitrophenyl)-1-phenylprop-2-en-1-one(2E)-3-(3-nitrophenyl)-1-phenylprop-2-en-1-one(E)-3-(3-nitrophenyl)-1-phenylprop-2-en-1-one24721-24-22-Propen-1-one, 3-(3-nitrophenyl)-1-phenyl-M-nitrobenzylidene acetophenone3-Nitro-trans-chalconeMFCD00024571CHEMBL106824CMLDBU000003333-NitrobenzylideneacetophenoneNSC636933
Show more names
(E)-3-Nitrochalcone(E)-α-(3-Nitrobenzylidene)acetophenone2-Propen-1-one, 3-(3-nitrophenyl)-1-phenyl-, (2E)-
(E)-3-(3-nitrophenyl)-1-phenyl-prop-2-en-1-oneChalcone, 3-nitro-CCRIS 1670NSC 5536EINECS 210-384-3AI3-08902NSC5536(E)-3-(3-Nitrophenyl)-1-phenyl-2-propen-1-one
Database identifiers
- CAS
24721-24-2、614-48-2- PubChem CID
- 5369664
- ChEMBL
CHEMBL106824- Nikkaji
- J236.593F、J96.211B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 353
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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