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Home > Fluorides > 1269291-21-5
1269291-21-5 | 1H-Pyrazole, 1-(3-fluorophenyl)-5-(3-thienyl)-
CAS No: 1269291-21-5 Catalog No: AG000TI8 MDL No:MFCD20275413
Product Description
Catalog Number:
AG000TI8
Chemical Name:
1H-Pyrazole, 1-(3-fluorophenyl)-5-(3-thienyl)-
CAS Number:
1269291-21-5
Molecular Formula:
C13H9FN2S
Molecular Weight:
244.2874
MDL Number:
MFCD20275413
IUPAC Name:
1-(3-fluorophenyl)-5-thiophen-3-ylpyrazole
InChI:
InChI=1S/C13H9FN2S/c14-11-2-1-3-12(8-11)16-13(4-6-15-16)10-5-7-17-9-10/h1-9H
InChI Key:
YVCLJQNJZUHPQM-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)n1nccc1c1cscc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.287g/mol
Monoisotopic Mass:
244.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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