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89145-06-2 | 1H-Pyrazole, 4,5-dihydro-3-phenyl-5-(thienyl)-
CAS No: 89145-06-2 Catalog No: AG003YT1 MDL No:
Product Description
Catalog Number:
AG003YT1
Chemical Name:
1H-Pyrazole, 4,5-dihydro-3-phenyl-5-(thienyl)-
CAS Number:
89145-06-2
Molecular Formula:
C13H12N2S
Molecular Weight:
228.3128
IUPAC Name:
3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
InChI:
InChI=1S/C13H12N2S/c1-2-5-10(6-3-1)11-9-12(15-14-11)13-7-4-8-16-13/h1-8,12,15H,9H2
InChI Key:
XXQMCEOHIKBWSD-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NNC(C1)c1cccs1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.313g/mol
Monoisotopic Mass:
228.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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