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Home > Fluorides > 1072069-72-7
1072069-72-7 | 5-(4-Fluorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CAS No: 1072069-72-7 Catalog No: AG01F55W MDL No:
Product Description
Catalog Number:
AG01F55W
Chemical Name:
5-(4-Fluorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CAS Number:
1072069-72-7
Molecular Formula:
C16H14FN3S
Molecular Weight:
299.3659
IUPAC Name:
3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
InChI:
InChI=1S/C16H14FN3S/c17-13-8-6-12(7-9-13)15-10-14(19-20(15)16(18)21)11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,18,21)
InChI Key:
ZAWNJNXLSZLLKZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C1CC(=NN1C(=S)N)c1ccccc1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.367g/mol
Monoisotopic Mass:
299.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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