Basic information
- CAS
153341-04-9- Standard SMILES
O=C(O)c1cc(C(=O)O)c(-c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
UZMXCLUPZRUZJH-UHFFFAOYSA-N- Molecular formula
- C14H6N4O12
- Average molar mass
- 422.22 g/mol
- Monoisotopic mass
- 421.99822164
Names & identifiers
- Preferred name
- 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl
- IUPAC
- 5-nitro-4-(2,4,6-trinitrophenyl)benzene-1,3-dicarboxylic acid
- English name
- 5-nitro-4-(2,4,6-trinitrophenyl)benzene-1,3-dicarboxylic acid
- Molecular formula
- C14H6N4O12
- Molecular weight
- 422.22
Names & synonyms
2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl153341-04-95-nitro-4-(2,4,6-trinitrophenyl)benzene-1,3-dicarboxylic acidDTXSID701653122',4',6,6'-Tetranitro[1,1'-biphenyl]-2,4-dicarboxylic acid[1,1'-Biphenyl]-2,4-dicarboxylic acid, 2',4',6,6'-tetranitro-
Database identifiers
- CAS
153341-04-9- PubChem CID
- 3025852
- DTXSID
DTXSID70165312
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 258 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 741
Physicochemical properties
- Boiling point
- 593.7 · 593.7±50.0 °C(Predicted)
- Density
- 1.858 · 1.858±0.06 g/cm3(Predicted)
- pka
- 2.55 · 2.55±0.15(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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