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1375302-47-8 | 7H-[1,2,4]Triazolo[5,1-b][1,3]thiazine-6-carboxylic acid, 7-oxo-2-phenyl-
CAS No: 1375302-47-8 Catalog No: AG0013II MDL No:
Product Description
Catalog Number:
AG0013II
Chemical Name:
7H-[1,2,4]Triazolo[5,1-b][1,3]thiazine-6-carboxylic acid, 7-oxo-2-phenyl-
CAS Number:
1375302-47-8
Molecular Formula:
C12H7N3O3S
Molecular Weight:
273.2673
IUPAC Name:
7-oxo-2-phenyl-[1,2,4]triazolo[5,1-b][1,3]thiazine-6-carboxylic acid
InChI:
InChI=1S/C12H7N3O3S/c16-10-8(11(17)18)6-19-12-13-9(14-15(10)12)7-4-2-1-3-5-7/h1-6H,(H,17,18)
InChI Key:
DRJDUYKDXQXQSK-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc2n(c1=O)nc(n2)c1ccccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.266g/mol
Monoisotopic Mass:
273.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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