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41814-82-8 | Benzo[4,5]thiazolo[2,3-c][1,2,4]triazole-1(9aH)-carboxaMide
CAS No: 41814-82-8 Catalog No: AG00CJIV MDL No:
Product Description
Catalog Number:
AG00CJIV
Chemical Name:
Benzo[4,5]thiazolo[2,3-c][1,2,4]triazole-1(9aH)-carboxaMide
CAS Number:
41814-82-8
IUPAC Name:
3aH-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-3-carboxamide
InChI:
InChI=1S/C9H8N4OS/c10-8(14)13-9-12(5-11-13)6-3-1-2-4-7(6)15-9/h1-5,9H,(H2,10,14)
InChI Key:
HYQYGRLJAMAJJK-UHFFFAOYSA-N
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.25g/mol
Monoisotopic Mass:
220.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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