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1339714-85-0 | 2-(pyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde
CAS No: 1339714-85-0 Catalog No: AG01A2SY MDL No:MFCD19626230
Product Description
Catalog Number:
AG01A2SY
Chemical Name:
2-(pyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde
CAS Number:
1339714-85-0
Molecular Formula:
C8H5N3OS
Molecular Weight:
191.2098
MDL Number:
MFCD19626230
IUPAC Name:
2-pyrimidin-4-yl-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C8H5N3OS/c12-4-6-3-10-8(13-6)7-1-2-9-5-11-7/h1-5H
InChI Key:
VLHYZPIEFVIHII-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(s1)c1ccncn1
Properties
Complexity:
190
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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