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75007-31-7 | 4-(2-(3,5-DIMETHYL-1-PYRAZOLYL)-THIAZOL-4-YL)PYROCATECHOL
CAS No: 75007-31-7 Catalog No: AG0057CT MDL No:
Product Description
Catalog Number:
AG0057CT
Chemical Name:
4-(2-(3,5-DIMETHYL-1-PYRAZOLYL)-THIAZOL-4-YL)PYROCATECHOL
CAS Number:
75007-31-7
Molecular Formula:
C14H13N3O2S
Molecular Weight:
287.3369
IUPAC Name:
4-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]benzene-1,2-diol
InChI:
InChI=1S/C14H13N3O2S/c1-8-5-9(2)17(16-8)14-15-11(7-20-14)10-3-4-12(18)13(19)6-10/h3-7,18-19H,1-2H3
InChI Key:
KWBGYGKODFZVHT-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)c1scc(n1)c1ccc(c(c1)O)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.337g/mol
Monoisotopic Mass:
287.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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