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956783-71-4 | 3-cyclopropyl-1-(4-iodobenzenesulfonyl)-1H-pyrazole
CAS No: 956783-71-4 Catalog No: AG00IRIR MDL No:MFCD03305924
Product Description
Catalog Number:
AG00IRIR
Chemical Name:
3-cyclopropyl-1-(4-iodobenzenesulfonyl)-1H-pyrazole
CAS Number:
956783-71-4
Molecular Formula:
C12H11IN2O2S
Molecular Weight:
374.1974
MDL Number:
MFCD03305924
IUPAC Name:
3-cyclopropyl-1-(4-iodophenyl)sulfonylpyrazole
InChI:
InChI=1S/C12H11IN2O2S/c13-10-3-5-11(6-4-10)18(16,17)15-8-7-12(14-15)9-1-2-9/h3-9H,1-2H2
InChI Key:
VJGXRYWNIICNNV-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)S(=O)(=O)n1ccc(n1)C1CC1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.959g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.196g/mol
Monoisotopic Mass:
373.959g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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