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1269293-89-1 | Thiazole, 2-[1-(4-methylphenyl)-1H-pyrazol-5-yl]-
CAS No: 1269293-89-1 Catalog No: AG000WE2 MDL No:MFCD20275444
Product Description
Catalog Number:
AG000WE2
Chemical Name:
Thiazole, 2-[1-(4-methylphenyl)-1H-pyrazol-5-yl]-
CAS Number:
1269293-89-1
Molecular Formula:
C13H11N3S
Molecular Weight:
241.3115
MDL Number:
MFCD20275444
IUPAC Name:
2-[2-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole
InChI:
InChI=1S/C13H11N3S/c1-10-2-4-11(5-3-10)16-12(6-7-15-16)13-14-8-9-17-13/h2-9H,1H3
InChI Key:
OACCYIVDKZCLSR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1nccc1c1nccs1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.312g/mol
Monoisotopic Mass:
241.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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