Basic information
- CAS
13440-25-0- Standard SMILES
O=[N+]([O-])C(c1ccccc1)C(c1ccccc1)[N+](=O)[O-]- InChIKey
QRFGNIXDMFSDQA-UHFFFAOYSA-N- Molecular formula
- C14H12N2O4
- Average molar mass
- 272.26 g/mol
- Monoisotopic mass
- 272.07970687
Names & identifiers
- Preferred name
- 1,1'-(1,2-Dinitroethane-1,2-diyl)dibenzene
- IUPAC
- (1,2-dinitro-2-phenylethyl)benzene
Names & synonyms
1,1'-(1,2-dinitroethane-1,2-diyl)dibenzene13440-25-0DTXSID00298945RefChem:211877DTXCID40250082NSC36657467765-80-4SCHEMBL6281430NSC127052AKOS004906909NSC-127052NSC-366574
Database identifiers
- CAS
13440-25-0、67765-80-4- PubChem CID
- 277971
- DTXSID
DTXSID00298945- Nikkaji
- J275.855E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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