11-Bromododecanoic acid
Basic information
- CAS
143984-15-0- Standard SMILES
CC(Br)CCCCCCCCCC(=O)O- InChIKey
YHYSFJBAAMODHY-UHFFFAOYSA-N- Molecular formula
- C12H23BrO2
- Average molar mass
- 279.21 g/mol
- Monoisotopic mass
- 278.08814
Names & identifiers
- Preferred name
- 11-Bromododecanoic acid
- IUPAC
- 11-bromododecanoic acid
Names & synonyms
11-bromododecanoic acid143984-15-011-bromo-dodecanoic acidLMFA01090006SCHEMBL1195012DTXSID50415620YHYSFJBAAMODHY-UHFFFAOYSA-N
Database identifiers
- CAS
143984-15-0- PubChem CID
- 5312945
- DTXSID
DTXSID50415620
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]
Related reactions
3 records
Compound notes
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