Basic information
- CAS
14184-98-6- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])c([N+](=O)[O-])c1O- InChIKey
ZGEXBICQPGHLKE-UHFFFAOYSA-N- Molecular formula
- C12H4N6O14
- Average molar mass
- 456.19 g/mol
- Monoisotopic mass
- 455.97854882
Names & identifiers
- Preferred name
- 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol
- IUPAC
- 3-(3-hydroxy-2,4,6-trinitrophenyl)-2,4,6-trinitrophenol
- English name
- 2,2',4,4',6,6'-hexanitro[1,1'-biphenyl]-3,3'-diol
- Molecular formula
- C12H4N6O14
- Molecular weight
- 456.19196
Names & synonyms
14184-98-62,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diolEINECS 238-037-12,2',4,4',6,6'-hexanitro[1,1'-biphenyl]-3,3'-diolDTXSID90161836RefChem:80624DTXCID8084327238-037-13-(3-hydroxy-2,4,6-trinitrophenyl)-2,4,6-trinitrophenolZGEXBICQPGHLKE-UHFFFAOYSA-NNS00024602
Database identifiers
- CAS
14184-98-6- PubChem CID
- 84244
- DTXSID
DTXSID90161836- EC Number
- 238-037-1
- Nikkaji
- J216.897I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 315 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 1
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 751
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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