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871110-15-5 | 1H-Pyrazole,5-(4-methoxyphenyl)-3-(methylthio)-1-phenyl-
CAS No: 871110-15-5 Catalog No: AG004LBC MDL No:
Product Description
Catalog Number:
AG004LBC
Chemical Name:
1H-Pyrazole,5-(4-methoxyphenyl)-3-(methylthio)-1-phenyl-
CAS Number:
871110-15-5
Molecular Formula:
C17H16N2OS
Molecular Weight:
296.3867
IUPAC Name:
5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazole
InChI:
InChI=1S/C17H16N2OS/c1-20-15-10-8-13(9-11-15)16-12-17(21-2)18-19(16)14-6-4-3-5-7-14/h3-12H,1-2H3
InChI Key:
MZDJMWBCKPGBAL-UHFFFAOYSA-N
SMILES:
CSc1nn(c(c1)c1ccc(cc1)OC)c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.388g/mol
Monoisotopic Mass:
296.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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