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27655-27-2 | 2-Benzothiazolecarboxamide,3-oxide(8CI)
CAS No: 27655-27-2 Catalog No: AG00BLOE MDL No:
Product Description
Catalog Number:
AG00BLOE
Chemical Name:
2-Benzothiazolecarboxamide,3-oxide(8CI)
CAS Number:
27655-27-2
IUPAC Name:
3-oxido-1,3-benzothiazol-3-ium-2-carboxamide
InChI:
InChI=1S/C8H6N2O2S/c9-7(11)8-10(12)5-3-1-2-4-6(5)13-8/h1-4H,(H2,9,11)
InChI Key:
BKUGHZBUPJQALG-UHFFFAOYSA-N
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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