Propionic acid, 6-chloro-o-tolyl ester
Basic information
- CAS
63916-12-1- Standard SMILES
CCC(=O)Oc1c(C)cccc1Cl- InChIKey
KWNCDIMDYKXECW-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.0447573
Names & identifiers
- Preferred name
- Propionic acid, 6-chloro-o-tolyl ester
- IUPAC
- (2-chloro-6-methylphenyl) propanoate
- English name
- Propionic acid 6-chloro-o-tolyl ester
- Molecular formula
- C10H11ClO2
- Molecular weight
- 198.65
Names & synonyms
63916-12-1Propionic acid, 6-chloro-o-tolyl esterDTXSID20213630RefChem:1096972DTXCID501361216-Chloro-o-tolyl propionatePhenol, 2-chloro-6-methyl-, propanoateNSC6865Phenol, propanoate2-CHLORO-6-METHYLPHENYL PROPANOATESCHEMBL3529575NSC 6865
Show more names
Propionic acid 6-chloro-o-tolyl esterPhenol, 2-chloro-6-methyl-, 1-propanoate
NSC-6865
Database identifiers
- CAS
63916-12-1- PubChem CID
- 94889
- DTXSID
DTXSID20213630- Nikkaji
- J92.658B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
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Compound notes
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