Basic information
- CAS
26827-38-3- Standard SMILES
O=C(OCc1ccccc1)C(Cl)(Cl)Cl- InChIKey
ATMAFOGHBMIGMV-UHFFFAOYSA-N- Molecular formula
- C9H7Cl3O2
- Average molar mass
- 253.5 g/mol
- Monoisotopic mass
- 251.951163
Names & identifiers
- Preferred name
- Benzyl trichloroacetate
- IUPAC
- benzyl 2,2,2-trichloroacetate
- English name
- benzyl trichloroacetate
- Molecular formula
- C9H7Cl3O2
- Molecular weight
- 253.51
Names & synonyms
Benzyl trichloroacetatebenzyl 2,2,2-trichloroacetate26827-38-3Acetic acid, trichloro-, phenylmethyl esterEINECS 248-017-4AI3-32475SCHEMBL988839DTXSID10181319Trichloroacetic acid, benzyl esterNSC50965NSC 50965NSC-50965
Show more names
Trichloroacetic acid benzyl esterTrichloroacetic acid (phenylmethyl) esterAcetic acid, 2,2,2-trichloro-, phenylmethyl ester
Acetic acid, trichloro-, benzyl esterNS00028202
Database identifiers
- CAS
26827-38-3- PubChem CID
- 96078
- DTXSID
DTXSID10181319- EC Number
- 248-017-4
- Nikkaji
- J249.054D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Chemistry & industry
Suppliers2 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…