Basic information
- CAS
80494-75-3- Standard SMILES
CCOC(=O)COc1ccc(CCl)cc1- InChIKey
QLVMJKOKSMMYTO-UHFFFAOYSA-N- Molecular formula
- C11H13ClO3
- Average molar mass
- 228.67 g/mol
- Monoisotopic mass
- 228.05532196
Names & identifiers
- Preferred name
- (4-Chloromethyl-phenoxy)-acetic acid ethyl ester
- IUPAC
- ethyl 2-[4-(chloromethyl)phenoxy]acetate
- English name
- (4-CHLOROMETHYL-PHENOXY)-ACETIC ACID ETHYL ESTER
- Molecular formula
- C11H13ClO3
- Molecular weight
- 228.67212
Names & synonyms
80494-75-3Ethyl 2-[4-(chloromethyl)phenoxy]acetate(4-Chloromethyl-phenoxy)-acetic acid ethyl esterAcetic acid,2-[4-(chloromethyl)phenoxy]-, ethyl esterEthyl 2-(4-(chloromethyl)phenoxy)acetateSCHEMBL7918868DTXSID00402247ethyl 4-chloromethylphenoxyacetateQLVMJKOKSMMYTO-UHFFFAOYSA-NAC-246AKOS023249702Ethyl [4-(chloromethyl)phenoxy]acetate
Database identifiers
- CAS
80494-75-3- PubChem CID
- 4351015
- DTXSID
DTXSID00402247
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
Chemistry & industry
Suppliers2 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Related reactions
2 records
Compound notes
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