1-Bromotridecan-2-one
Basic information
- CAS
5365-80-0- Standard SMILES
CCCCCCCCCCCC(=O)CBr- InChIKey
DZJPJSZORICTQT-UHFFFAOYSA-N- Molecular formula
- C13H25BrO
- Average molar mass
- 277.24 g/mol
- Monoisotopic mass
- 276.10887752
Names & identifiers
- Preferred name
- 1-Bromotridecan-2-one
- IUPAC
- 1-bromotridecan-2-one
Names & synonyms
1-bromotridecan-2-one5365-80-0DTXSID00285072RefChem:228715DTXCID20236223NSC404011-bromo-2-tridecanoneSCHEMBL1854746DZJPJSZORICTQT-UHFFFAOYSA-NNSC-40401AKOS018709343
Database identifiers
- CAS
5365-80-0- PubChem CID
- 237133
- DTXSID
DTXSID00285072
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 145
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Related reactions
3 records
Compound notes
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