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1269292-24-1 | 1H-Pyrazole, 1-phenyl-5-(3-thienyl)-
CAS No: 1269292-24-1 Catalog No: AG000TJN MDL No:MFCD20275409
Product Description
Catalog Number:
AG000TJN
Chemical Name:
1H-Pyrazole, 1-phenyl-5-(3-thienyl)-
CAS Number:
1269292-24-1
Molecular Formula:
C13H10N2S
Molecular Weight:
226.2969
MDL Number:
MFCD20275409
IUPAC Name:
1-phenyl-5-thiophen-3-ylpyrazole
InChI:
InChI=1S/C13H10N2S/c1-2-4-12(5-3-1)15-13(6-8-14-15)11-7-9-16-10-11/h1-10H
InChI Key:
RIINKFJCVKKYQU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)n1nccc1c1cscc1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.297g/mol
Monoisotopic Mass:
226.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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