Hexanoic acid, 6-benzamido-2-bromo-
Basic information
- CAS
1700-05-6- Standard SMILES
O=C(NCCCCC(Br)C(=O)O)c1ccccc1- InChIKey
FJFPFKONXJAJQH-UHFFFAOYSA-N- Molecular formula
- C13H16BrNO3
- Average molar mass
- 314.17 g/mol
- Monoisotopic mass
- 313.03136
Names & identifiers
- Preferred name
- Hexanoic acid, 6-benzamido-2-bromo-
- IUPAC
- 6-benzamido-2-bromohexanoic acid
- English name
- Hexanoic acid,6-(benzoylamino)-2-bromo-
- Molecular formula
- C13H16BrNO3
- Molecular weight
- 314.17
Names & synonyms
6-Benzamido-2-bromohexanoic acidHexanoic acid, 6-benzamido-2-bromo-DTXSID60277731Caproic acid, epsilon-benzamido-alpha-bromo-RefChem:347723DTXCID602288891700-05-62-bromo-6-(phenylformamido)hexanoic acid6-benzamido-2-bromo-hexanoic acid6-(benzoylamino)-2-bromohexanoic acidBenzamido-epsilon-bromocaproic acidCBDivE_003530
Show more names
Hexanoic acid,6-(benzoylamino)-2-bromo-
SCHEMBL65084966-Benzamido-2-bromohexanoicacidNIOSH/MO6487500NSC3742BAA70005NSC-3742AKOS004114611CS-0239172
Database identifiers
- CAS
1700-05-6- PubChem CID
- 220685
- DTXSID
DTXSID60277731
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 166 °C · 166 °C
- Boiling point
- 523.9 · 523.9±40.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- 2.94 · 2.94±0.21(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…