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8-Chloro Diclosulam

CAT: 0572-TRC-C318910-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C318910-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
207801-50-1
Hazard Statement
No Data Available
Smiles
CCOc1nc(F)c(Cl)c2nc(nn12)S(=O)(=O)Nc3c(Cl)cccc3Cl
Molecular Formula
C13 H9 Cl3 F N5 O3 S
Molecular Weight
440.665
InChI
InChI=1S/C13H9Cl3FN5O3S/c1-2-25-13-18-10(17)8(16)11-19-12(20-22(11)13)26(23,24)21-9-6(14)4-3-5-7(9)15/h3-5,21H,2H2,1H3
Additionnal Information
IUPAC name: 8-chloro-N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
Shipping Conditions
Room Temperature

Chemical Information

8-Chloro Diclosulam
CAS Number207801-50-1
PubChem CID23303934
IUPAC Name8-chloro-N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
Molecular FormulaC13H9Cl3FN5O3S
Molecular Weight440.7
XLogP3.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity590
SMILES
CCOC1=NC(=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3Cl)Cl)Cl)F
InChI
InChI=1S/C13H9Cl3FN5O3S/c1-2-25-13-18-10(17)8(16)11-19-12(20-22(11)13)26(23,24)21-9-6(14)4-3-5-7(9)15/h3-5,21H,2H2,1H3
InChIKey
LETGQJLCXNKLMN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Chloro Diclosulam
CAS: 207801-50-1
CID: 23303934
Formula: C13H9Cl3FN5O3S
MW: 440.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.7
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass438.947572
Monoisotopic Mass438.947572
Topological Polar Surface Area107 Ų
Heavy Atom Count26
Formal Charge0
Complexity590
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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