2-Chloro-1-methylpropyl acetate
Basic information
- CAS
760-86-1- Standard SMILES
CC(=O)OC(C)C(C)Cl- InChIKey
NCIUPQANRXKHMV-UHFFFAOYSA-N- Molecular formula
- C6H11ClO2
- Average molar mass
- 150.6 g/mol
- Monoisotopic mass
- 150.0447573
Names & identifiers
- Preferred name
- 2-Chloro-1-methylpropyl acetate
- IUPAC
- 3-chlorobutan-2-yl acetate
Names & synonyms
3-chlorobutan-2-yl acetate2-Chloro-1-methylpropyl acetate3-Chloro-2-butanol acetate760-86-12-Butanol, 3-chloro-, 2-acetateDTXSID7021528NCIUPQANRXKHMV-UHFFFAOYSA-N2-Chloro-1-methylpropyl acetate #2-Butanol, 3-chloro-, acetate, (R*,R*)-
Database identifiers
- CAS
760-86-1- PubChem CID
- 538362
- DTXSID
DTXSID7021528
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
- 103
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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