Basic information
- CAS
805-74-3- Standard SMILES
O=C(c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1- InChIKey
VARRMPLWXUVENV-UHFFFAOYSA-N- Molecular formula
- C19H12N2O6
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 364.06953611
Names & identifiers
- Preferred name
- 4-(2,4-Dinitrophenoxy)phenyl phenyl ketone
- IUPAC
- [4-(2,4-dinitrophenoxy)phenyl]-phenylmethanone
Names & synonyms
MLS002667545805-74-3[4-(2,4-dinitrophenoxy)phenyl](phenyl)methanoneNSC52583[4-(2,4-dinitrophenoxy)phenyl]-phenyl-methanoneOprea1_600420Oprea1_694714CHEMBL1723106DTXSID60287810HMS3080G12NSC-52583AKOS000741224
Show more names
SMR0015573114-(2,4-dinitrophenoxy)phenyl phenyl ketoneDS-007896ST45153177
Database identifiers
- CAS
805-74-3- PubChem CID
- 243231
- DTXSID
DTXSID60287810- ChEMBL
CHEMBL1723106
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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