Basic information
- CAS
2203-36-3- Standard SMILES
CC(=O)OCCC(C)Cl- InChIKey
UDSOIUSFQZZUPF-UHFFFAOYSA-N- Molecular formula
- C6H11ClO2
- Average molar mass
- 150.6 g/mol
- Monoisotopic mass
- 150.0447573
Names & identifiers
- Preferred name
- 3-Chlorobutyl acetate
- IUPAC
- 3-chlorobutyl acetate
- English name
- 3-chlorobutyl acetate
- Molecular formula
- C6H11ClO2
- Molecular weight
- 150.6
Names & synonyms
3-chlorobutyl acetate2203-36-3Acetic acid, 3-chlorobutyl ester3-chloro-1-butanol acetate1-Butanol, 3-chloro, acetateSCHEMBL7547952SCHEMBL75479571-Butanol, 3-chloro-, acetateDTXSID40944636UDSOIUSFQZZUPF-UHFFFAOYSA-N1-Butanol, 3-chloro-, 1-acetate
Database identifiers
- CAS
2203-36-3- PubChem CID
- 137488
- DTXSID
DTXSID40944636- Nikkaji
- J2.321.581K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 93.1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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