Climbazole

C₁₅H₁₇ClN₂O₂CAS 38083-17-9292.76 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone

Properties

Molecular formula: C₁₅H₁₇ClN₂O₂
Molar mass: 292.76 g/mol
Exact mass: 292.0979 Da
logP: 3.73Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed99.5% of notifiers
H400 Very toxic to aquatic life62.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects69.5% of notifiers
H412 Harmful to aquatic life with long lasting effects26% of notifiers

Aggregated from 200 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

38083-17-9

SMILES

CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1

InChIKey

OWEGWHBOCFMBLP-UHFFFAOYSA-N

InChI

InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3

Weigh it out

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

Names and synonyms

8 names

2-Butanone, 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl-
1-(4-Chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl-2-butanone
1-[(4-Chlorophenoxy)(tert-butylcarbonyl)methyl]imidazole
BAY-e 6975
Baypival
Crinipan AD
1-(4-Chlorophenoxy)-1-(imidazol-1-yl)-3,3-dimethylbutan-2-one
Diazolone

Work with Climbazole

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

Triadimefon43121-43-365 % similar 2-(4-Chlorophenoxy)propionic acid3307-39-938 % similar Clofop26129-32-836 % similar Triadimenol55219-65-336 % similar Triadimenol A89482-17-736 % similar Clofibric acid882-09-733 % similar 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone66346-01-833 % similar 1-tert-Butoxy-4-chlorobenzene18995-35-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook