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Pyrazosulfuron Impurity 1

CAT: 1299-RM-P850001-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P850001-02Size:25 mg
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CAS Number
868680-84-6
Synonyms
3-chloro-N- ((4,6-dimethoxypyrimidin-2-yl) carbamoyl) -1-methyl-4- (5-methyl-5,6-dihydro-1,4,2-dioxazin-3-yl) -1H-pyrazole-5-sulfonamide
Molecular Formula
C15H18ClN7O7S
Molecular Weight
475.86
Target Alternative Name
Pyrazosulfuron
Product Name Synonym
3-chloro-N- ((4,6-dimethoxypyrimidin-2-yl) carbamoyl) -1-methyl-4- (5-methyl-5,6-dihydro-1,4,2-dioxazin-3-yl) -1H-pyrazole-5-sulfonamide

Chemical Information

Metazosulfuron

3-chloro-N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(5-methyl-5,6-dihydro-1,4,2-dioxazin-3-yl)-1H-pyrazole-5-sulfonamide is a member of pyrazoles, an aromatic ether, an organochlorine compound, a member of pyrimidines, a diether, a tertiary amino compound, a N-sulfonylurea and a dioxazine.

CAS Number868680-84-6
PubChem CID11634286
IUPAC Name1-[3-chloro-1-methyl-4-(5-methyl-5,6-dihydro-1,4,2-dioxazin-3-yl)pyrazol-5-yl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
Molecular FormulaC15H18ClN7O7S
Molecular Weight475.9
XLogP1.9
Topological Polar Surface Area177
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity770
SMILES
CC1CON=C(O1)C2=C(N(N=C2Cl)C)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC
InChI
InChI=1S/C15H18ClN7O7S/c1-7-6-29-21-12(30-7)10-11(16)20-23(2)13(10)31(25,26)22-15(24)19-14-17-8(27-3)5-9(18-14)28-4/h5,7H,6H2,1-4H3,(H2,17,18,19,22,24)
InChIKey
IXWKBUKANTXHJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metazosulfuron
CAS: 868680-84-6
CID: 11634286
Formula: C15H18ClN7O7S
MW: 475.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.9
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass475.0676948
Monoisotopic Mass475.0676948
Topological Polar Surface Area177 Ų
Heavy Atom Count31
Formal Charge0
Complexity770
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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