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1965305-01-4 | 4-Phenyl-2-(2-pyrimidyl) thiazole-5-carboxylic acid
CAS No: 1965305-01-4 Catalog No: AG01F8VE MDL No:
Product Description
Catalog Number:
AG01F8VE
Chemical Name:
4-Phenyl-2-(2-pyrimidyl) thiazole-5-carboxylic acid
CAS Number:
1965305-01-4
Molecular Formula:
C14H9N3O2S
Molecular Weight:
283.3052
IUPAC Name:
2-(4-phenylpyrimidin-2-yl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C14H9N3O2S/c18-14(19)11-8-16-13(20-11)12-15-7-6-10(17-12)9-4-2-1-3-5-9/h1-8H,(H,18,19)
InChI Key:
HTEQWWKOJVQTCJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(s1)c1nccc(n1)c1ccccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.042g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.305g/mol
Monoisotopic Mass:
283.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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