Basic information
- CAS
18545-44-3- Standard SMILES
CCC(Cl)(Cl)C(=O)OC- InChIKey
VAPJFYJBCCPOAV-UHFFFAOYSA-N- Molecular formula
- C5H8Cl2O2
- Average molar mass
- 171.02 g/mol
- Monoisotopic mass
- 169.9901349
Names & identifiers
- Preferred name
- Butyric acid, 2,2-dichloro-, methyl ester
- IUPAC
- methyl 2,2-dichlorobutanoate
Names & synonyms
Butyric acid, 2,2-dichloro-, methyl ester18545-44-3Butanoic acid, 2,2-dichloro-, methyl esterMethyl 2,2-dichlorobutanoateButanoic acid, 2,2-4ichloro-, methyl estermethyl 2,2-dichlorobutan-oateMethyl 2,2-dichlorobutanoate #SCHEMBL21555653DTXSID20939969VAPJFYJBCCPOAV-UHFFFAOYSA-N
Database identifiers
- CAS
18545-44-3- PubChem CID
- 189934
- DTXSID
DTXSID20939969- Nikkaji
- J512.465D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 112
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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