chempirical

2-Chloro-6-hydroxybenzonitrile

C7H4ClNOCAS 89999-90-6153.56 g/mol

Open in Covalent MOL file
ClNOH
Aryl halideNitrilePhenol

Properties

Molecular formula
C7H4ClNO
Molar mass
153.56 g/mol
Exact mass
152.9981 Da
logP
1.92Crippen estimate
Polar surface area
44.0 Ų
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
89999-90-6
SMILES
C1=CC(=C(C(=C1)Cl)C#N)O
InChIKey
QAZAWPCTVDEZCT-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H

Weigh it out

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

Work with 2-Chloro-6-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

2,6-Dichlorobenzonitrile1194-65-668 % similar 2-Cyano-3-fluorophenol140675-43-058 % similar 3,6-Dihydroxy-1,2-benzenedicarbonitrile4733-50-058 % similar 2-Chlorophenol95-57-858 % similar 2-Chloro-6-methylbenzonitrile6575-09-355 % similar 2-Amino-6-chlorobenzonitrile6575-11-755 % similar 2-Chloro-6-fluorobenzonitrile668-45-155 % similar 2,3-Dichlorophenol576-24-948 % similar

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

Same formula

4-Chlorophenyl isocyanate104-12-1 5-Chloro-2-hydroxybenzonitrile13589-72-5 3-Chloro-1,2-benzoxazole16263-52-8 5-Chlorobenzoxazole17200-29-2 3-Chloro-4-hydroxybenzonitrile2315-81-3 3-Chlorophenyl isocyanate2909-38-8 4-Chlorofuro[3,2-C]pyridine31270-80-1 2-Chlorophenyl isocyanate3320-83-0

Elsewhere

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