chempirical

2-Bromooctanoic acid

C8H15BrO2CAS 2623-82-7223.11 g/mol

Open in Covalent MOL file
BrOOH
Alkyl halideCarboxylic acid

Properties

Molecular formula
C8H15BrO2
Molar mass
223.11 g/mol
Exact mass
222.0255 Da
Boiling point
118–121 °C (at 0.6 Torr)
logP
2.80Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
6

Identifiers

CAS number
2623-82-7
SMILES
CCCCCCC(Br)C(=O)O
InChIKey
GTGTXZRPJHDASG-UHFFFAOYSA-N
InChI
InChI=1S/C8H15BrO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Octanoic acid, 2-bromo-
  • α-Bromooctanoic acid
  • (±)-2-Bromooctanoic acid
  • (±)-α-Bromooctanoic acid
  • 2-Bromocaprylic acid

Work with 2-Bromooctanoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromooctadecanoic acid142-94-9100 % similar 2-Bromohexadecanoic acid18263-25-7100 % similar 2-Bromohexanoic acid616-05-786 % similar 2-Bromopentanoic acid584-93-072 % similar 2-Hexyldecanoic acid25354-97-665 % similar 2-Hexadecylpropanedioic acid4371-64-665 % similar 2-Hydroxyhexadecanoic acid10067-06-861 % similar 2-Bromooctanoyl bromide106265-08-161 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,1-Dimethylethyl 4-bromobutanoate110661-91-1 8-Bromooctanoic acid17696-11-6 1,1-Dimethylethyl 2-bromo-2-methylpropanoate23877-12-5 Ethyl 6-bromohexanoate25542-62-5 Ethyl 2-bromohexanoate615-96-3

Elsewhere

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