Basic information
- CAS
5445-40-9- Standard SMILES
CCCCCCCCCC(Br)C(=O)OCC- InChIKey
AJPBEWRTHGLNRQ-UHFFFAOYSA-N- Molecular formula
- C13H25BrO2
- Average molar mass
- 293.24 g/mol
- Monoisotopic mass
- 292.10379214
Names & identifiers
- Preferred name
- Ethyl 2-bromoundecanoate
- IUPAC
- ethyl 2-bromoundecanoate
- English name
- ethyl 2-bromoundecanoate
- Molecular formula
- C13H25BrO2
- Molecular weight
- 293.2404
Names & synonyms
Ethyl 2-bromoundecanoate5445-40-9ETHYL omega-BROMOUNDECANOATEUndecanoic acid, 2-bromo, methyl esterUndecanoic acid, 2-bromo-, ethyl esterNSC22007EINECS 226-649-1Undecanoic acid,2-bromo-, ethyl esterCH7D55G2EJSCHEMBL7789723DTXSID10971510NSC 22007
Show more names
2-Bromoundecanoic acid ethyl ester
NSC-22007alpha-bromo-undecanoic acid ethyl esterDS-012520NS00044479
Database identifiers
- CAS
5445-40-9、56140-51-3- PubChem CID
- 95582
- DTXSID
DTXSID10971510- UNII
- CH7D55G2EJ
- EC Number
- 226-649-1
- Nikkaji
- J210.485G
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 171
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
4 records
Compound notes
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