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Clomazone

CAT: 1596-AR-C05416-05Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C05416-05Size:250 Units
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CAS Number
81777-89-1
Synonyms
2-[ (2-Chlorophenyl) methyl]-4,4-dimethyl-3-isoxazolidinone
Molecular Formula
C12H14ClNO2
Molecular Weight
239.7
API Name
Clomazone

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
Loading 3D structure...
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

Alternative Products

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

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