Basic information
- CAS
6282-52-6- Standard SMILES
CCCCCC(=O)OCCBr- InChIKey
AHELICBDMBDYSN-UHFFFAOYSA-N- Molecular formula
- C8H15BrO2
- Average molar mass
- 223.11 g/mol
- Monoisotopic mass
- 222.02554
Names & identifiers
- Preferred name
- Hexanoic acid, 2-bromoethyl ester
- IUPAC
- 2-bromoethyl hexanoate
Names & synonyms
2-Bromoethyl hexanoateHEXANOIC ACID, 2-BROMOETHYL ESTER6282-52-6BRN 1756784AI3-19988DTXSID002119324-02-00-00922 (Beilstein Handbook Reference)NSC 6984RefChem:146173DTXCID30134423AHELICBDMBDYSN-UHFFFAOYSA-NSCHEMBL11791792
Show more names
NSC6984NSC-6984EN300-1478581
Database identifiers
- CAS
6282-52-6- PubChem CID
- 22688
- DTXSID
DTXSID00211932- Nikkaji
- J329.196K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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