3-Bromo-4-hydroxybenzonitrile

C7H4BrNOCAS 2315-86-8198.02 g/mol

Open in Covalent MOL file
NOHBr
Aryl halideNitrilePhenol

Properties

Molecular formula
C7H4BrNO
Molar mass
198.02 g/mol
Exact mass
196.9476 Da
Melting point
153–154 °C
logP
2.03Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2315-86-8
SMILES
N#Cc1ccc(O)c(Br)c1
InChIKey
HLHNOIAOWQFNGW-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H

Weigh it out

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

Names and synonyms

2 names
  • Benzonitrile, 3-bromo-4-hydroxy-
  • 2-Bromo-4-cyanophenol

Work with 3-Bromo-4-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

3,4-Dihydroxybenzonitrile17345-61-864 % similar Bromoxynil1689-84-562 % similar 3-Chloro-4-hydroxybenzonitrile2315-81-361 % similar 4-Cyano-2-fluorophenol405-04-956 % similar 3-Bromo-4-methylbenzonitrile42872-74-256 % similar 4-Amino-3-bromobenzonitrile50397-74-556 % similar 3-Bromo-4-fluorobenzonitrile79630-23-256 % similar 3-Bromo-4-chlorobenzonitrile948549-53-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-benzooxazole132244-31-6 2-Bromophenyl isocyanate1592-00-3 3-Bromophenyl isocyanate23138-55-8 4-Bromophenyl isocyanate2493-02-9 4-Bromo-2-hydroxybenzonitrile288067-35-6 5-Bromo-2-hydroxybenzonitrile40530-18-5

Elsewhere

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