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Home > Aldehydes > 1178019-16-3
1178019-16-3 | 2-(pyrimidin-2-yl)-1,3-thiazole-4-carbaldehyde
CAS No: 1178019-16-3 Catalog No: AG019VYX MDL No:MFCD12197384
Product Description
Catalog Number:
AG019VYX
Chemical Name:
2-(pyrimidin-2-yl)-1,3-thiazole-4-carbaldehyde
CAS Number:
1178019-16-3
Molecular Formula:
C8H5N3OS
Molecular Weight:
191.2098
MDL Number:
MFCD12197384
IUPAC Name:
2-pyrimidin-2-yl-1,3-thiazole-4-carbaldehyde
InChI:
InChI=1S/C8H5N3OS/c12-4-6-5-13-8(11-6)7-9-2-1-3-10-7/h1-5H
InChI Key:
IXCQLYQNBGWDSP-UHFFFAOYSA-N
SMILES:
O=Cc1csc(n1)c1ncccn1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.208g/mol
Monoisotopic Mass:
191.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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