chempirical

5-Bromo-2-hydroxybenzonitrile

C7H4BrNOCAS 40530-18-5198.02 g/mol

Open in Covalent MOL file
NBrHO
Aryl halideNitrilePhenol

Properties

Molecular formula
C7H4BrNO
Molar mass
198.02 g/mol
Exact mass
196.9476 Da
Melting point
155–156 °C
logP
2.03Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
40530-18-5
SMILES
N#Cc1cc(Br)ccc1O
InChIKey
PVCONXMDUZOPJH-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H

Weigh it out

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

Names and synonyms

4 names
  • Benzonitrile, 5-bromo-2-hydroxy-
  • 5-Bromosalicylonitrile
  • 2-Hydroxy-5-bromobenzonitrile
  • 4-Bromo-2-cyanophenol

Work with 5-Bromo-2-hydroxybenzonitrile

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

5-Bromo-2-iodobenzonitrile121554-10-756 % similar 5-Bromo-2-methylbenzonitrile156001-51-356 % similar 5-Bromo-2-fluorobenzonitrile179897-89-356 % similar 2-Amino-5-bromobenzonitrile39263-32-656 % similar 5-Bromo-2-chlorobenzonitrile57381-44-956 % similar 4-Bromocatechol17345-77-654 % similar 2-Hydroxybenzonitrile611-20-152 % similar 4-Bromo-2-fluorobenzonitrile105942-08-352 % similar

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

Same formula

5-Bromo-benzooxazole132244-31-6 3-Bromophenyl isocyanate23138-55-8 3-Bromo-4-hydroxybenzonitrile2315-86-8 4-Bromophenyl isocyanate2493-02-9

Elsewhere

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