Basic information
- CAS
63636-76-0- Standard SMILES
O=C(O)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
CXLUUVAWZDNHRL-UHFFFAOYSA-N- Molecular formula
- C13H7N3O8
- Average molar mass
- 333.21 g/mol
- Monoisotopic mass
- 333.02331419
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro-
- IUPAC
- 2-(2,4-dinitrophenyl)-5-nitrobenzoic acid
Names & synonyms
63636-76-0BRN 2485695(1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro-2,4,4'-Trinitro-2'-carboxybiphenyl2,4,4'-Trinitrobiphenyl-2'-carboxylic acid2',4,4'-Trinitro-(1,1'-biphenyl)-2-carboxylic acidDTXSID90213006RefChem:203930DTXCID501354972,4,4-Trinitro-(1,1-biphenyl)-2-carboxylic acidSTK2909912',4,4'-trinitro-2-carboxybiphenyl
Show more names
AKOS0015903192',4,4'-trinitrobiphenyl-2-carboxylic acid2',4,4'-Trinitro[1,1'-biphenyl]-2-carboxylic acid
Database identifiers
- CAS
63636-76-0- PubChem CID
- 149012
- DTXSID
DTXSID90213006
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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