Basic information
- CAS
64037-38-3- Standard SMILES
CCC(Cl)(COP(=O)(OCC(Cl)(CC)[N+](=O)[O-])OCC(Cl)(CC)[N+](=O)[O-])[N+](=O)[O-]- InChIKey
RMWZIPNZLJJXGY-UHFFFAOYSA-N- Molecular formula
- C12H21Cl3N3O10P
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 503.003014
Names & identifiers
- Preferred name
- Butanol, 2-chloro-2-nitro-, phosphate (3:1)
- IUPAC
- tris(2-chloro-2-nitrobutyl) phosphate
Names & synonyms
64037-38-3BUTANOL, 2-CHLORO-2-NITRO-, PHOSPHATE (3:1)RefChem:1080350Tris(2-chloro-2-nitro-1-butyl) phosphateUSAF CS-26tris(2-chloro-2-nitrobutyl) phosphatePhosphoric acid, tris((2-chloro-2-nitro)butyl)esterDTXSID60982010
Database identifiers
- CAS
64037-38-3- PubChem CID
- 46410
- DTXSID
DTXSID60982010
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 571
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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