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16807-21-9 | 1,2-Benzisothiazole-3-carboxamide
CAS No: 16807-21-9 Catalog No: AG001XRU MDL No:MFCD01830509
Product Description
Catalog Number:
AG001XRU
Chemical Name:
1,2-Benzisothiazole-3-carboxamide
CAS Number:
16807-21-9
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD01830509
IUPAC Name:
1,2-benzothiazole-3-carboxamide
InChI:
InChI=1S/C8H6N2OS/c9-8(11)7-5-3-1-2-4-6(5)12-10-7/h1-4H,(H2,9,11)
InChI Key:
BAKAGHXBJJLTDB-UHFFFAOYSA-N
SMILES:
NC(=O)c1nsc2c1cccc2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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