Basic information
- CAS
798-43-6- Standard SMILES
CCC(=O)Oc1c(-c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
JSRVJFCYAYSQKQ-UHFFFAOYSA-N- Molecular formula
- C15H12N2O6
- Average molar mass
- 316.26 g/mol
- Monoisotopic mass
- 316.06953611
Names & identifiers
- Preferred name
- 3,5-Dinitro[1,1'-biphenyl]-2-yl propanoate
- IUPAC
- (2,4-dinitro-6-phenylphenyl) propanoate
Names & synonyms
798-43-6NSC4043973,5-Dinitro[1,1'-biphenyl]-2-yl propanoateDTXSID60323601NSC-404397
Database identifiers
- CAS
798-43-6- PubChem CID
- 346237
- DTXSID
DTXSID60323601
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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