4-Bromo-2-hydroxybenzonitrile

C₇H₄BrNOCAS 288067-35-6198.02 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
logP: 2.03Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

288067-35-6

SMILES

C1=CC(=C(C=C1Br)O)C#N

InChIKey

PAHSHGVACWNGEY-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrNO/c8-6-2-1-5(4-9)7(10)3-6/h1-3,10H

Weigh it out

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

Work with 4-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

4-Bromophthalonitrile70484-01-464 % similar 4-Bromo-2-fluorobenzonitrile105942-08-356 % similar 4-Bromo-2-chlorobenzonitrile154607-01-956 % similar 4-Bromo-2-methylbenzonitrile67832-11-556 % similar 4-Bromo-2-(trifluoromethyl)benzonitrile191165-13-656 % similar 4-Bromocatechol17345-77-654 % similar 4-Hydroxybenzene-1,2-dicarbonitrile30757-50-752 % similar 2-Hydroxybenzonitrile611-20-152 % 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 3-Bromo-4-hydroxybenzonitrile2315-86-8 4-Bromophenyl isocyanate2493-02-9 5-Bromo-2-hydroxybenzonitrile40530-18-5

Elsewhere

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