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Chlorsulfuron

CAT: 0926-FC37686-03Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FC37686-03Size:10 g
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CAS Number
64902-72-3
MDL Number
MFCD00128059
Smiles
CC1=NC (=NC (=N1) OC) NC (=O) NS (=O) (=O) C2=CC=CC=C2Cl
Molecular Formula
C12H12ClN5O4S
Molecular Weight
357.77 g/mol
Controlled
No

Chemical Information

Chlorsulfuron

Chlorsulfuron is an N-sulfonylurea that is N-carbamoyl-2-chlorobenzenesulfonamide in which one of the hydrogens attached to the non-sulfonylated nitrogen has been replaced by a 4-methoxy-6-methyl-1,3,5-triazin-2-yl group. A herbicide used for the control of broadleaf weeds in wheat, barley and oats. It has a role as an EC 2.2.1.6 (acetolactate synthase) inhibitor, a herbicide and an agrochemical. It is a methoxy-1,3,5-triazine, a N-sulfonylurea and a member of monochlorobenzenes.

CAS Number64902-72-3
PubChem CID47491
IUPAC Name1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
Molecular FormulaC12H12ClN5O4S
Molecular Weight357.77
XLogP2.3
Topological Polar Surface Area132
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity514
SMILES
CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)
InChIKey
VJYIFXVZLXQVHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlorsulfuron
CAS: 64902-72-3
CID: 47491
Formula: C12H12ClN5O4S
MW: 357.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.77
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass357.0298527
Monoisotopic Mass357.0298527
Topological Polar Surface Area132 Ų
Heavy Atom Count23
Formal Charge0
Complexity514
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

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