Basic information
- CAS
5457-89-6- Standard SMILES
CCCCCCCC(=O)OCCBr- InChIKey
OKYMLPQEWYUPFT-UHFFFAOYSA-N- Molecular formula
- C10H19BrO2
- Average molar mass
- 251.16 g/mol
- Monoisotopic mass
- 250.05684
Names & identifiers
- Preferred name
- 2-Bromoethyl octanoate
- IUPAC
- 2-bromoethyl octanoate
- English name
- 2-bromoethyl octanoate
- Molecular formula
- C10H19BrO2
- Molecular weight
- 251.16
Names & synonyms
2-bromoethyl octanoate5457-89-6NSC239422 -Bromoethyl OctanoateSCHEMBL8446335DTXSID60282042OKYMLPQEWYUPFT-UHFFFAOYSA-NOctanoic acid 2-bromo-ethyl esterNSC-23942
Database identifiers
- CAS
5457-89-6- PubChem CID
- 229883
- DTXSID
DTXSID60282042- Nikkaji
- J495.280D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 126
Chemistry & industry
Suppliers2 total
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
7 records
Compound notes
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