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Home > Pyridines > 478064-96-9
478064-96-9 | 1-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]ethan-1-one
CAS No: 478064-96-9 Catalog No: AG00IYLX MDL No:MFCD02571353
Product Description
Catalog Number:
AG00IYLX
Chemical Name:
1-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]ethan-1-one
CAS Number:
478064-96-9
Molecular Formula:
C10H8N2OS
Molecular Weight:
204.2483
MDL Number:
MFCD02571353
IUPAC Name:
1-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone
InChI:
InChI=1S/C10H8N2OS/c1-7(13)9-6-12-10(14-9)8-3-2-4-11-5-8/h2-6H,1H3
InChI Key:
IAKIMVYKEBGSAF-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnc(s1)c1cccnc1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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