2-Chloroethyl 3-methylbenzoate
Basic information
- CAS
6639-18-5- Standard SMILES
Cc1cccc(C(=O)OCCCl)c1- InChIKey
AQYGUKUFDLTLIX-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.0447573
Names & identifiers
- Preferred name
- 2-Chloroethyl 3-methylbenzoate
- IUPAC
- 2-chloroethyl 3-methylbenzoate
Names & synonyms
2-chloroethyl 3-methylbenzoate6639-18-5DTXSID90280652RefChem:259490DTXCID90231806NSC17882SCHEMBL28151511AQYGUKUFDLTLIX-UHFFFAOYSA-NNSC-178823-Methylbenzoic acid, 2-chloroethyl ester
Database identifiers
- CAS
6639-18-5- PubChem CID
- 226900
- DTXSID
DTXSID90280652
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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