chempirical

7-Bromo-1-heptanol

C7H15BrOCAS 10160-24-4195.10 g/mol

Open in Covalent MOL file
HOBr
AlcoholAlkyl halide

Properties

Molecular formula
C7H15BrO
Molar mass
195.10 g/mol
Exact mass
194.0306 Da
Boiling point
108 °C (at 1 Torr)
logP
2.32Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
6

Identifiers

CAS number
10160-24-4
SMILES
OCCCCCCCBr
InChIKey
MMXRRNUXCHUHOE-UHFFFAOYSA-N
InChI
InChI=1S/C7H15BrO/c8-6-4-2-1-3-5-7-9/h9H,1-7H2

Weigh it out

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

Names and synonyms

2 names
  • 1-Heptanol, 7-bromo-
  • 7-Bromoheptanol

Work with 7-Bromo-1-heptanol

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

13-Bromo-1-tridecanol116754-58-6100 % similar 11-Bromo-1-undecanol1611-56-9100 % similar 12-Bromo-1-dodecanol3344-77-2100 % similar 5-Bromo-1-pentanol34626-51-2100 % similar 6-Bromo-1-hexanol4286-55-9100 % similar 8-Bromo-1-octanol50816-19-8100 % similar 10-Bromo-1-decanol53463-68-6100 % similar 9-Bromononanol55362-80-6100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook