Completing data — refresh the page later to see the latest
Basic information
- CAS
64046-48-6- Standard SMILES
O=C(CCl)OCCCc1ccccc1- InChIKey
HTTWQUXWZPNKIN-UHFFFAOYSA-N- Molecular formula
- C11H13ClO2
- Average molar mass
- 212.67 g/mol
- Monoisotopic mass
- 212.0604073
Names & identifiers
- Preferred name
- Acetic acid, chloro-, 3-phenylpropyl ester
- IUPAC
- 3-phenylpropyl 2-chloroacetate
Names & synonyms
3-Phenylpropyl chloroacetateACETIC ACID, CHLORO-, 3-PHENYLPROPYL ESTER64046-48-6BRN 5526604DTXSID30214092NSC 6021RefChem:316582DTXCID30136583Chloroacetic acid, 3-phenylpropyl ester3-Phenylpropyl chloroacetate #ghl.PD_Mitscher_leg0.1072SCHEMBL2431281
Show more names
NSC6021HTTWQUXWZPNKIN-UHFFFAOYSA-NNSC-6021STK053914AKOS005386314
Database identifiers
- CAS
64046-48-6- PubChem CID
- 46632
- DTXSID
DTXSID30214092- Nikkaji
- J85.226K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…