chempirical

6-Bromohexanoic acid

C6H11BrO2CAS 4224-70-8195.06 g/mol

Open in Covalent MOL file
OHOBr
Alkyl halideCarboxylic acid

Properties

Molecular formula
C6H11BrO2
Molar mass
195.06 g/mol
Exact mass
193.9942 Da
Density
1.4157 g/mL (at 30 °C)
Melting point
35 °C
Boiling point
165–170 °C (at 20 Torr)
logP
2.03Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Identifiers

CAS number
4224-70-8
SMILES
O=C(O)CCCCCBr
InChIKey
NVRVNSHHLPQGCU-UHFFFAOYSA-N
InChI
InChI=1S/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)

Weigh it out

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

Names and synonyms

3 names
  • Hexanoic acid, 6-bromo-
  • ω-Bromohexanoic acid
  • 6-Bromocaproic acid

Work with 6-Bromohexanoic 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 8-Bromooctanoic acid17696-11-6100 % similar 11-Bromoundecanoic acid2834-05-1100 % similar 7-Bromoheptanoic acid30515-28-7100 % similar 9-Bromononanoic acid41059-02-3100 % 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

Ethyl 4-bromobutyrate2969-81-5 2-(2-Bromoethyl)-1,3-dioxane33884-43-4 4-Acetoxy-1-bromobutane4753-59-7 tert-Butyl bromoacetate5292-43-3 Ethyl α-bromobutyrate533-68-6 Methyl 5-bromopentanoate5454-83-1 Ethyl 2-bromoisobutyrate600-00-0 2-Bromohexanoic acid616-05-7

Elsewhere

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