Basic information
- CAS
918-78-5- Standard SMILES
COC(=O)C(C)(Cl)CCl- InChIKey
UMKUDPXEXDNELA-UHFFFAOYSA-N- Molecular formula
- C5H8Cl2O2
- Average molar mass
- 171.02 g/mol
- Monoisotopic mass
- 169.9901349
Names & identifiers
- Preferred name
- Propanoic acid, 2,3-dichloro-2-methyl-, methyl ester
- IUPAC
- methyl 2,3-dichloro-2-methylpropanoate
Names & synonyms
918-78-5Propanoic acid, 2,3-dichloro-2-methyl-, methyl esterDTXSID30335130RefChem:374626DTXCID30286219methyl 2,3-dichloro-2-methylpropanoateSCHEMBL8926717methyl 2,3-dichloro-2-methylpropionatePropionic acid, 2,3-dichloro-2-methyl-, methyl ester
Database identifiers
- CAS
918-78-5- PubChem CID
- 522995
- DTXSID
DTXSID30335130
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 116
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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