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1378716-73-4 | 1,2-Benzisothiazole-4-carboxylic acid, 3-amino-
CAS No: 1378716-73-4 Catalog No: AG001404 MDL No:
Product Description
Catalog Number:
AG001404
Chemical Name:
1,2-Benzisothiazole-4-carboxylic acid, 3-amino-
CAS Number:
1378716-73-4
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
IUPAC Name:
3-amino-1,2-benzothiazole-4-carboxylic acid
InChI:
InChI=1S/C8H6N2O2S/c9-7-6-4(8(11)12)2-1-3-5(6)13-10-7/h1-3H,(H2,9,10)(H,11,12)
InChI Key:
OVSCIXRDTBJNPD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1c(N)ns2
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:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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