2-(3-Nitrophenyl)-4h-chromen-4-one

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Basic information

CAS: 70460-19-4
Standard SMILES: O=c1cc(-c2cccc([N+](=O)[O-])c2)oc2ccccc12
InChIKey: NFMFVPFUTZLMGI-UHFFFAOYSA-N
Molecular formula: C15H9NO4
Average molar mass: 267.24 g/mol
Monoisotopic mass: 267.05315777

Names & identifiers

Preferred name: 2-(3-Nitrophenyl)-4h-chromen-4-one
IUPAC: 2-(3-nitrophenyl)chromen-4-one

Names & synonyms

NSC-7361370460-19-4CHEMBL2918762-(3-Nitrophenyl)-4H-1-benzopyran-4-one2-(3-nitrophenyl)-4h-chromen-4-one3'-nitroflavone2-(3-nitrophenyl)chromen-4-oneNSC73613TTJ5VBA6ZVNCIOpen2_003891SCHEMBL5064064DTXSID80291176

Show more names

BDBM50540960EBC-075412-(3'-nitrophenyl)-4h-chromen-4-one4H-1-Benzopyran-4-one, 2-(3-nitrophenyl)-EN300-18347696Z85935532

Database identifiers

CAS: 70460-19-4
PubChem CID: 252248
DTXSID: DTXSID80291176
ChEMBL: CHEMBL291876
UNII: TTJ5VBA6ZV
Nikkaji: J495.351G

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 440

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Compound notes

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