Acetic acid, chloro-, 1-methoxyisopropyl ester
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Basic information
- CAS
64046-46-4- Standard SMILES
COC(C)(C)OC(=O)CCl- InChIKey
PFYYFYKWCJMOMO-UHFFFAOYSA-N- Molecular formula
- C6H11ClO3
- Average molar mass
- 166.6 g/mol
- Monoisotopic mass
- 166.0396719
Names & identifiers
- Preferred name
- Acetic acid, chloro-, 1-methoxyisopropyl ester
- IUPAC
- 2-methoxypropan-2-yl 2-chloroacetate
- English name
- Chloroacetic acid 1-methoxy-1-methylethyl ester
- Molecular formula
- C6H11ClO3
- Molecular weight
- 166.6
Names & synonyms
1-Methoxyisopropyl chloroacetate64046-46-4ACETIC ACID, CHLORO-, 1-METHOXYISOPROPYL ESTERDTXSID70214091RefChem:316576DTXCID70136582Chloroacetic acid 1-methoxy-1-methylethyl ester2-Methoxypropan-2-yl chloroacetateDB-307717Acetic acid, 2-chloro-, 1-methoxy-1-methylethyl ester
Database identifiers
- CAS
64046-46-4- PubChem CID
- 46631
- DTXSID
DTXSID70214091- Nikkaji
- J85.219H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 234.82 °C · 234.82°C (rough estimate)
- Density
- 1.2277 · 1.2277 (rough estimate)
- refractive index
- 1.453 · 1.4530 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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