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1269292-90-1 | Thiazole, 2-(1-phenyl-1H-pyrazol-5-yl)-
CAS No: 1269292-90-1 Catalog No: AG000TK6 MDL No:MFCD20275435
Product Description
Catalog Number:
AG000TK6
Chemical Name:
Thiazole, 2-(1-phenyl-1H-pyrazol-5-yl)-
CAS Number:
1269292-90-1
Molecular Formula:
C12H9N3S
Molecular Weight:
227.2850
MDL Number:
MFCD20275435
IUPAC Name:
2-(2-phenylpyrazol-3-yl)-1,3-thiazole
InChI:
InChI=1S/C12H9N3S/c1-2-4-10(5-3-1)15-11(6-7-14-15)12-13-8-9-16-12/h1-9H
InChI Key:
XPOIWXPBHFDKOP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)n1nccc1c1nccs1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.285g/mol
Monoisotopic Mass:
227.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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