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84387-92-8 | 1,2-Benzisothiazole-4-carboxylicacid, 5-amino-
CAS No: 84387-92-8 Catalog No: AG004SUK MDL No:MFCD18804906
Product Description
Catalog Number:
AG004SUK
Chemical Name:
1,2-Benzisothiazole-4-carboxylicacid, 5-amino-
CAS Number:
84387-92-8
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
MDL Number:
MFCD18804906
IUPAC Name:
5-amino-1,2-benzothiazole-4-carboxylic acid
InChI:
InChI=1S/C8H6N2O2S/c9-5-1-2-6-4(3-10-13-6)7(5)8(11)12/h1-3H,9H2,(H,11,12)
InChI Key:
XCGFPHLCGZLPCO-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)ccc2c1cns2
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:
1.7
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