2-Chloroethyl heptanoate
Basic information
- CAS
5454-32-0- Standard SMILES
CCCCCCC(=O)OCCCl- InChIKey
YRDZBAQVWWMMSG-UHFFFAOYSA-N- Molecular formula
- C9H17ClO2
- Average molar mass
- 192.68 g/mol
- Monoisotopic mass
- 192.0917075
Names & identifiers
- Preferred name
- 2-Chloroethyl heptanoate
- IUPAC
- 2-chloroethyl heptanoate
Names & synonyms
2-chloroethyl heptanoate5454-32-0DTXSID30281784RefChem:259500DTXCID30232938YRDZBAQVWWMMSG-UHFFFAOYSA-NSCHEMBL28705899NSC23044Heptanoic acid, 2-chloroethyl esterNSC-23044
Database identifiers
- CAS
5454-32-0- PubChem CID
- 229376
- DTXSID
DTXSID30281784
Properties
Computed structural properties
- XLogP
- 3.2
- 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
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Related reactions
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Compound notes
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