chempirical

3-Bromobenzenemethanol

C7H7BrOCAS 15852-73-0187.04 g/mol

Open in Covalent MOL file
HOBr
AlcoholAryl halide

Properties

Molecular formula
C7H7BrO
Molar mass
187.04 g/mol
Exact mass
185.9680 Da
Boiling point
255–257 °C (at 738 Torr)
logP
1.94Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
15852-73-0
SMILES
OCc1cccc(Br)c1
InChIKey
FSWNRRSWFBXQCL-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2

Weigh it out

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

Names and synonyms

5 names
  • Benzenemethanol, 3-bromo-
  • Benzyl alcohol, m-bromo-
  • 3-Bromobenzyl alcohol
  • m-Bromobenzyl alcohol
  • 3-Bromophenylmethanol

Work with 3-Bromobenzenemethanol

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

1,3-Benzenedimethanol626-18-665 % similar 3-Bromobenzyl bromide823-78-959 % similar 3-Bromobenzylamine10269-01-957 % similar 1-Bromo-3-ethylbenzene2725-82-857 % similar 4-Bromobenzyl alcohol873-75-654 % similar 3-Fluorobenzyl alcohol456-47-354 % similar 3-Hydroxybenzyl alcohol620-24-654 % similar 3-Chlorobenzyl alcohol873-63-254 % similar

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

Same formula

4-Bromoanisole104-92-7 2-Bromo-6-methylphenol13319-71-6 4-Bromo-3-methylphenol14472-14-1 2-Bromobenzyl alcohol18982-54-2 4-Bromo-2-methylphenol2362-12-1 3-Bromoanisole2398-37-0 2-Bromoanisole578-57-4 2-Bromo-4-methylphenol6627-55-0

Elsewhere

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