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871110-23-5 | 1,3-DIPHENYL-5-METHANESULFONYL-1H-PYRAZOLE
CAS No: 871110-23-5 Catalog No: AG004P74 MDL No:
Product Description
Catalog Number:
AG004P74
Chemical Name:
1,3-DIPHENYL-5-METHANESULFONYL-1H-PYRAZOLE
CAS Number:
871110-23-5
Molecular Formula:
C16H14N2O2S
Molecular Weight:
298.3596
IUPAC Name:
5-methylsulfonyl-1,3-diphenylpyrazole
InChI:
InChI=1S/C16H14N2O2S/c1-21(19,20)16-12-15(13-8-4-2-5-9-13)17-18(16)14-10-6-3-7-11-14/h2-12H,1H3
InChI Key:
RVUWOTBZLXRUSX-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1cc(nn1c1ccccc1)c1ccccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.36g/mol
Monoisotopic Mass:
298.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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