Basic information
- CAS
51928-80-4- Standard SMILES
O=C(OCC(O)CO)c1ccccc1Cl- InChIKey
VRJKNLYNNGCTPS-UHFFFAOYSA-N- Molecular formula
- C10H11ClO4
- Average molar mass
- 230.64 g/mol
- Monoisotopic mass
- 230.0345865
Names & identifiers
- Preferred name
- 2,3-Dihydroxypropyl 2-chlorobenzoate
- IUPAC
- 2,3-dihydroxypropyl 2-chlorobenzoate
Names & synonyms
2,3-dihydroxypropyl 2-chlorobenzoate51928-80-4DTXSID10966249RefChem:1059435DTXCID2013938962-Chlorobenzoic acid 2,3-dihydroxypropyl esterBRN 21157812-(beta,gamma-Dihydroxypropoxycarbonyl)chlorobenzeneglycerol chlorobenzoateBENZOIC ACID, 2-CHLORO-, 2,3-DIHYDROXYPROPYL ESTERSCHEMBL2226524
Database identifiers
- CAS
51928-80-4- PubChem CID
- 40180
- DTXSID
DTXSID10966249
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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