3-Bromo-4-hydroxybenzonitrile

C₇H₄BrNOCAS 2315-86-8198.02 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Phenol

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

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 4-Cyano-2-fluorophenol405-04-956 % similar 3-Bromo-4-fluorobenzonitrile79630-23-256 % similar 2-Bromo-1,4-benzenediol583-69-755 % similar 4-Bromo-3-fluorobenzonitrile133059-44-652 % similar 3-Bromo-4-methoxybenzonitrile117572-79-951 % similar 4-Hydroxy-3-(trifluoromethyl)benzonitrile124811-71-851 % 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 4-Bromophenyl isocyanate2493-02-9 5-Bromo-2-hydroxybenzonitrile40530-18-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook