Basic information
- CAS
57289-62-0- Standard SMILES
CCCCCCCCCCC(Br)CCCCCC(=O)OC- InChIKey
GOIAGTDABXBURQ-UHFFFAOYSA-N- Molecular formula
- C18H35BrO2
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 362.18204
Names & identifiers
- Preferred name
- Methyl 7-bromoheptadecanoate
- IUPAC
- methyl 7-bromoheptadecanoate
- English name
- 7-Bromoheptadecanoic acid methyl ester
- Molecular weight
- 0
Names & synonyms
Methyl 7-bromoheptadecanoate57289-62-0Heptadecanoic acid, 7-bromo-, methyl esterDTXSID20339167RefChem:356393DTXCID20290249GOIAGTDABXBURQ-UHFFFAOYSA-N7-Bromoheptadecanoic acid methyl esterMethyl 7-bromoheptadecanoate #DB-325604
Database identifiers
- CAS
57289-62-0- PubChem CID
- 554156
- DTXSID
DTXSID20339167- Nikkaji
- J130.975G
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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