4-Phenoxybenzonitrile

C13H9NOCAS 3096-81-9195.22 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C13H9NO
Molar mass
195.22 g/mol
Exact mass
195.0684 Da
logP
3.35Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
3096-81-9
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N
InChIKey
UYHCIOZMFCLUDP-UHFFFAOYSA-N
InChI
InChI=1S/C13H9NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H

Weigh it out

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

Work with 4-Phenoxybenzonitrile

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

1,4-Diphenoxybenzene3061-36-762 % similar Benzonitrile100-47-059 % similar Diphenyl ether101-84-857 % similar 1,4-Dicyanobenzene623-26-757 % similar 4-Benzyloxybenzonitrile52805-36-457 % similar (1,1'-Biphenyl)-4-carbonitrile2920-38-956 % similar 4-Methoxybenzonitrile874-90-856 % similar (1,1'-Biphenyl)-4,4'-dicarbonitrile1591-30-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6(5H)-Phenanthridinone1015-89-0 2-Biphenyl isocyanate17337-13-2 4′-Cyano-4-hydroxybiphenyl19812-93-2 Fluorenone oxime2157-52-0 2-Amino-9H-fluoren-9-one3096-57-9 10-Hydroxybenzo(h)quinoline33155-90-7 Acridone578-95-0 2-Phenylbenzoxazole833-50-1

Elsewhere

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