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1269291-68-0 | 1H-Pyrazole, 1-(4-methylphenyl)-5-(2-thienyl)-
CAS No: 1269291-68-0 Catalog No: AG000TJ4 MDL No:MFCD20275430
Product Description
Catalog Number:
AG000TJ4
Chemical Name:
1H-Pyrazole, 1-(4-methylphenyl)-5-(2-thienyl)-
CAS Number:
1269291-68-0
Molecular Formula:
C14H12N2S
Molecular Weight:
240.3235
MDL Number:
MFCD20275430
IUPAC Name:
1-(4-methylphenyl)-5-thiophen-2-ylpyrazole
InChI:
InChI=1S/C14H12N2S/c1-11-4-6-12(7-5-11)16-13(8-9-15-16)14-3-2-10-17-14/h2-10H,1H3
InChI Key:
ZYPLCHFPMHELDJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1nccc1c1cccs1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.324g/mol
Monoisotopic Mass:
240.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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