chempirical

8-Bromooctanoic acid

C8H15BrO2CAS 17696-11-6223.11 g/mol

Open in Covalent MOL file
OHOBr
Alkyl halideCarboxylic acid

Properties

Molecular formula
C8H15BrO2
Molar mass
223.11 g/mol
Exact mass
222.0255 Da
Melting point
38.5 °C
Boiling point
147–150 °C (at 2 Torr)
logP
2.81Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
7

Identifiers

CAS number
17696-11-6
SMILES
O=C(O)CCCCCCCBr
InChIKey
BKJFDZSBZWHRNH-UHFFFAOYSA-N
InChI
InChI=1S/C8H15BrO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)

Weigh it out

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

Names and synonyms

4 names
  • Octanoic acid, 8-bromo-
  • Caprylic acid, η-bromo-
  • 8-Bromocaprylic acid
  • ω-Bromooctanoic acid

Work with 8-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

17-Bromoheptadecanoic acid13099-35-9100 % similar 11-Bromoundecanoic acid2834-05-1100 % similar 7-Bromoheptanoic acid30515-28-7100 % similar 9-Bromononanoic acid41059-02-3100 % similar 6-Bromohexanoic acid4224-70-8100 % similar 12-Bromododecanoic acid73367-80-3100 % similar 5-Bromopentanoic acid2067-33-695 % similar 4-Bromobutanoic acid2623-87-282 % similar

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

Same formula

1,1-Dimethylethyl 4-bromobutanoate110661-91-1 1,1-Dimethylethyl 2-bromo-2-methylpropanoate23877-12-5 Ethyl 6-bromohexanoate25542-62-5 2-Bromooctanoic acid2623-82-7 Ethyl 2-bromohexanoate615-96-3

Elsewhere

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