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Clomazone

CAT: 0127-BUP14655-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP14655-01Size:50 mg
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CAS Number
81777-89-1
Synonyms
Gamit, FMC 57020, Command, Dimethazone, Magister
Purity
=98%
Smiles
CC1(C)CON(Cc2ccccc2Cl)C1=O

Chemical Information

Clomazone

Clomazone is an isoxazolidinone that is 1,2-oxazolidin-3-one substituted by a 2-chlorobenzyl group at position 2 and two methyl groups at position 4. It has a role as a carotenoid biosynthesis inhibitor, a herbicide, an agrochemical, a xenobiotic and an environmental contaminant. It is an isoxazolidinone and a member of monochlorobenzenes.

CAS Number81777-89-1
PubChem CID54778
IUPAC Name2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
Molecular FormulaC12H14ClNO2
Molecular Weight239.70
XLogP2.5
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity280
SMILES
CC1(CON(C1=O)CC2=CC=CC=C2Cl)C
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
InChIKey
KIEDNEWSYUYDSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clomazone
CAS: 81777-89-1
CID: 54778
Formula: C12H14ClNO2
MW: 239.70
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.70
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass239.0713064
Monoisotopic Mass239.0713064
Topological Polar Surface Area29.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BUP08439-01Clomesone

Alternative Products

CatalogName
HY-W040194-01Clomazone
S-762Clomazone - 1ML
CS-T-103382Clomazone-d4
HY-W040194R-01Clomazone (Standard)

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