Fenarimol

C₁₇H₁₂Cl₂N₂OCAS 60168-88-9331.20 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₁₇H₁₂Cl₂N₂O
Molar mass: 331.20 g/mol
Exact mass: 330.0327 Da
Density: 1.4 g/mL
Melting point: 118 °C
logP: 4.07Crippen estimate
Polar surface area: 46.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H361fd Suspected of damaging fertility; Suspected of damaging the unborn childReproductive toxicity
H362 May cause harm to breast-fed childrenReproductive toxicity, effects on or via lactation
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 603-104-00-X), via PubChem.

Precautionary statements

P203, P260, P263, P264, P270, P273, P280, P318, P391, P405, P501

Identifiers

CAS number

60168-88-9

SMILES

OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl

InChIKey

NHOWDZOIZKMVAI-UHFFFAOYSA-N

InChI

InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H

Weigh it out

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

Names and synonyms

7 names

5-Pyrimidinemethanol, α-(2-chlorophenyl)-α-(4-chlorophenyl)-
α-(2-Chlorophenyl)-α-(4-chlorophenyl)-5-pyrimidinemethanol
EL 222
Rubigan
Fenari
Rubigan SC
(±)-Fenarimol

Work with Fenarimol

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-Chlorotrityl chloride42074-68-038 % similar 1-(4-Chlorophenyl)-1-phenylethanol59767-24-736 % similar O-Chlorobenzotrichloride2136-89-235 % similar 2-Chlorobenzotrifluoride88-16-434 % similar Mazindol22232-71-934 % similar α,α-Diphenyl-4-pyridinemethanol1620-30-033 % similar Clotrimazole23593-75-133 % similar 9-Phenyl-9-fluorenol25603-67-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia