Basic information
- CAS
5853-71-4- Standard SMILES
O=P1(CCl)OC2=C(O1)C1CC1C=C2- InChIKey
VTMIUUOVNBKLPE-UHFFFAOYSA-N- Molecular formula
- C8H8ClO3P
- Average molar mass
- 218.57 g/mol
- Monoisotopic mass
- 217.9899588
Names & identifiers
- Preferred name
- Phosphonic acid, chloromethyl-, cyclic methylene-o-phenylene ester
- IUPAC
- 2-(chloromethyl)-6,6a-dihydro-5aH-cyclopropa[g][1,3,2]benzodioxaphosphole 2-oxide
Names & synonyms
BRN 25254424H-1,3,2-Benzodioxaphosphorin, 2-(chloromethyl)-, 2-oxideChloromethylphosphonic acid cyclic methylene-o-phenylene ester5853-71-4Phosphonic acid, chloromethyl-, cyclic methylene-o-phenylene esterRefChem:370566DTXSID709740872-(Chloromethyl)-6,6a-dihydro-2H,5aH-2lambda~5~-cyclopropa[e][1,3,2]benzodioxaphosphol-2-one
Database identifiers
- CAS
5853-71-4- PubChem CID
- 201376
- DTXSID
DTXSID70974087
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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