Basic information
- CAS
91423-84-6- Standard SMILES
CCCC[C@H](Br)C(=O)O- InChIKey
HZTPKMIMXLTOSK-YFKPBYRVSA-N- Molecular formula
- C6H11BrO2
- Average molar mass
- 195.05 g/mol
- Monoisotopic mass
- 193.99424
Names & identifiers
- Preferred name
- 2-Bromohexanoic acid, (S)-
- IUPAC
- (2S)-2-bromohexanoic acid
- English name
- Hexanoic acid, 2-bromo-, (2S)-
- Molecular formula
- C6H11BrO2
- Molecular weight
- 195.05
Names & synonyms
(S)-2-Bromohexanoic acid91423-84-62-Bromohexanoic acid, (S)-Hexanoic acid, 2-bromo-, (2S)-2-Bromocapronic acid, (-)-UNII-QZ8V98WONGQZ8V98WONGDTXSID80238561RefChem:85878DTXCID30161052(2S)-2-bromohexanoic acidSCHEMBL1732697
Show more names
Q27287574
Database identifiers
- CAS
91423-84-6- PubChem CID
- 6994463
- DTXSID
DTXSID80238561- UNII
- QZ8V98WONG
- Nikkaji
- J56.571G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 93
Physicochemical properties
- Boiling point
- 101 · 101-103 °C(Press: 2 Torr)
- Density
- 1.436 · 1.436±0.06 g/cm3(Predicted)
- pka
- 2.97 · 2.97±0.21(Predicted)
- FDA UNII
- 8 V98WONG · QZ8V98WONG
Chemistry & industry
Suppliers1 total
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Related reactions
16 records
Compound notes
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