Basic information
- CAS
74940-61-7- Standard SMILES
COP(=O)(OC)C(OC(=O)CCl)C(Cl)(Cl)Cl- InChIKey
AHAAWQBSARNIMQ-UHFFFAOYSA-N- Molecular formula
- C6H9Cl4O5P
- Average molar mass
- 333.9 g/mol
- Monoisotopic mass
- 331.894171
Names & identifiers
- Preferred name
- Chloracetophon
- IUPAC
- (2,2,2-trichloro-1-dimethoxyphosphorylethyl) 2-chloroacetate
- English name
- CHLORACETOPHONE
- Molecular formula
- C6H9Cl4O5P
- Molecular weight
- 333.92
Names & synonyms
ChloracetophonChloracetofonChloracetophone74940-61-76355I6T7LSACETIC ACID, CHLORO-, 2,2,2-TRICHLORO-1-(DIMETHOXYPHOSPHINYL)ETHYL ESTERRefChem:1252500,0-dimethyl-2,2,2-trichloro-1-(chloroacetoxy)phosphonateHAF 50 EKCCRIS 3674BRN 1983208UNII-6355I6T7LS
Show more names
Acetic acid, 2-chloro-, 2,2,2-trichloro-1-(dimethoxyphosphinyl)ethyl ester
2,2,2-trichloro-1-(dimethoxyphosphoryl)ethyl chloroacetate(2,2,2-trichloro-1-dimethoxyphosphorylethyl) 2-chloroacetateO,O-Dimethyl (2,2,2-trichloro-1-(chloroacetoxy)ethyl)phosphonateChloroacetic acid 2,2,2-trichloro-1-(dimethoxyphosphinyl)ethyl esterSCHEMBL30758064DTXSID50996449CHLORACETOPHON, (+/-)-Acetic acid, chloro-, ester with dimethyl(2,2,2-trichloro-1-hydroxyethyl)phosphonate
Database identifiers
- CAS
74940-61-7- PubChem CID
- 53149
- DTXSID
DTXSID50996449- UNII
- 6355I6T7LS
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- FDA UNII
- 6355 I6T7LS · 6355I6T7LS
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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