Basic information
- CAS
2255-15-4- Standard SMILES
COP(=O)(OC)Oc1ccc([N+](=O)[O-])c(Cl)c1- InChIKey
LVSQMNHBBYWRRX-UHFFFAOYSA-N- Molecular formula
- C8H9ClNO6P
- Average molar mass
- 281.59 g/mol
- Monoisotopic mass
- 280.9856017
Names & identifiers
- Preferred name
- Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl ester
- IUPAC
- (3-chloro-4-nitrophenyl) dimethyl phosphate
- English name
- Phosphoric acid dimethyl 3-chloro-4-nitrophenyl ester
- Molecular weight
- 0
Names & synonyms
ChlorooxonChloroxon methyl3-Chloro-4-nitrophenyl dimethyl phosphateMethyl chloroxon2255-15-4Phosphoric acid, 3-chloro-4-nitrophenyl dimethyl esterDimethyl 3-chloro-4-nitrophenyl phosphatePhosphoric acid, dimethyl 3-chloro-4-nitrophenyl esterDTXSID40177083RefChem:370909DTXCID0099574CHEMBL159118
Show more names
Phosphoric acid dimethyl 3-chloro-4-nitrophenyl ester
Database identifiers
- CAS
2255-15-4- PubChem CID
- 75267
- DTXSID
DTXSID40177083- ChEMBL
CHEMBL159118- Nikkaji
- J96.820J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
Experimental & physicochemical properties
LogP1.83
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…