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1269293-24-4 | Thiazole, 2-[1-(3-chlorophenyl)-1H-pyrazol-5-yl]-
CAS No: 1269293-24-4 Catalog No: AG000WDI MDL No:MFCD20275442
Product Description
Catalog Number:
AG000WDI
Chemical Name:
Thiazole, 2-[1-(3-chlorophenyl)-1H-pyrazol-5-yl]-
CAS Number:
1269293-24-4
Molecular Formula:
C12H8ClN3S
Molecular Weight:
261.7300
MDL Number:
MFCD20275442
IUPAC Name:
2-[2-(3-chlorophenyl)pyrazol-3-yl]-1,3-thiazole
InChI:
InChI=1S/C12H8ClN3S/c13-9-2-1-3-10(8-9)16-11(4-5-15-16)12-14-6-7-17-12/h1-8H
InChI Key:
MPUPQPQTCANECC-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)n1nccc1c1nccs1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.013g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.727g/mol
Monoisotopic Mass:
261.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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