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21346-36-1 | 2-(pyridin-4-yl)thiazole-5-carbaldehyde
CAS No: 21346-36-1 Catalog No: AG00BG4I MDL No:MFCD11846891
Product Description
Catalog Number:
AG00BG4I
Chemical Name:
2-(pyridin-4-yl)thiazole-5-carbaldehyde
CAS Number:
21346-36-1
Molecular Formula:
C9H6N2OS
Molecular Weight:
190.2217
MDL Number:
MFCD11846891
IUPAC Name:
2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C9H6N2OS/c12-6-8-5-11-9(13-8)7-1-3-10-4-2-7/h1-6H
InChI Key:
NJPWEWURYDJIOJ-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(s1)c1ccncc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.22g/mol
Monoisotopic Mass:
190.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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