Basic information
- CAS
34589-22-5- Standard SMILES
CCCCCCCOC(=O)CCl- InChIKey
JUFPTDUONWPUBM-UHFFFAOYSA-N- Molecular formula
- C9H17ClO2
- Average molar mass
- 192.68 g/mol
- Monoisotopic mass
- 192.0917075
Names & identifiers
- Preferred name
- Heptyl chloroacetate
- IUPAC
- heptyl 2-chloroacetate
Names & synonyms
Heptyl chloroacetateChloroacetic acid, heptyl ester1-Heptanol, chloroacetate34589-22-5DTXSID80334431RefChem:347307DTXCID90285521JUFPTDUONWPUBM-UHFFFAOYSA-Nheptyl 2-chloroacetateSCHEMBL1033167SBB061233AKOS006292307
Show more names
ST51047277
Database identifiers
- CAS
34589-22-5- PubChem CID
- 520693
- DTXSID
DTXSID80334431
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 115
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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