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18836-24-3 | 1H-Pyrazole, 1-(4-fluorophenyl)-4,5-dihydro-3-phenyl-
CAS No: 18836-24-3 Catalog No: AG002GV6 MDL No:
Product Description
Catalog Number:
AG002GV6
Chemical Name:
1H-Pyrazole, 1-(4-fluorophenyl)-4,5-dihydro-3-phenyl-
CAS Number:
18836-24-3
Molecular Formula:
C15H13FN2
Molecular Weight:
240.2755
IUPAC Name:
2-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
InChI:
InChI=1S/C15H13FN2/c16-13-6-8-14(9-7-13)18-11-10-15(17-18)12-4-2-1-3-5-12/h1-9H,10-11H2
InChI Key:
DFPQQEWVMXKEAM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)N1CCC(=N1)c1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.281g/mol
Monoisotopic Mass:
240.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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