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Home > Fluorides > 871110-09-7
871110-09-7 | 1H-Pyrazole,1-(4-fluorophenyl)-5-(methylthio)-3,4-diphenyl-
CAS No: 871110-09-7 Catalog No: AG004LBD MDL No:
Product Description
Catalog Number:
AG004LBD
Chemical Name:
1H-Pyrazole,1-(4-fluorophenyl)-5-(methylthio)-3,4-diphenyl-
CAS Number:
871110-09-7
Molecular Formula:
C22H17FN2S
Molecular Weight:
360.4472
IUPAC Name:
1-(4-fluorophenyl)-5-methylsulfanyl-3,4-diphenylpyrazole
InChI:
InChI=1S/C22H17FN2S/c1-26-22-20(16-8-4-2-5-9-16)21(17-10-6-3-7-11-17)24-25(22)19-14-12-18(23)13-15-19/h2-15H,1H3
InChI Key:
ARRPVEFPZINITI-UHFFFAOYSA-N
SMILES:
CSc1c(c2ccccc2)c(nn1c1ccc(cc1)F)c1ccccc1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.11g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.45g/mol
Monoisotopic Mass:
360.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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