Clomazone

C₁₂H₁₄ClNO₂CAS 81777-89-1239.70 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam

Properties

Molecular formula: C₁₂H₁₄ClNO₂
Molar mass: 239.70 g/mol
Exact mass: 239.0713 Da
Melting point: 25 °C
Boiling point: 275 °C
logP: 2.64Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

81777-89-1

SMILES

CC1(C)CON(Cc2ccccc2Cl)C1=O

InChIKey

KIEDNEWSYUYDSN-UHFFFAOYSA-N

InChI

InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3

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Names and synonyms

16 names · show all

3-Isoxazolidinone, 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-
2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone
Dimethazone
FMC 57020
Command
Command EC
Command (pesticide)
Command 3ME
Cirrus 50WP
Cirrus
F 57020
Gamit
Centium 360CS
Isooxadiazon
Command 480 EC
2-(2-Chlorobenzyl)-4,4-dimethylisoxazolidin-3-one

Work with Clomazone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 2-chlorobenzeneacetate57486-68-740 % similar (2-Chlorophenyl)acetic acid2444-36-237 % similar Boc-2-chloro-L-phenylalanine114873-02-835 % similar 1-(2,6-Dichlorophenyl)indolin-2-one15362-40-033 % similar 2-Chlorobenzyl alcohol17849-38-633 % similar 2-Chlorobenzyl mercaptan39718-00-833 % similar 2-Chlorobenzyl bromide611-17-633 % similar 2-Chlorobenzylamine89-97-433 % similar

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

Elsewhere

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