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117342-15-1 | 6-Benzothiazolecarboxylic acid, 2-hydrazinyl-
CAS No: 117342-15-1 Catalog No: AG000E5R MDL No:
Product Description
Catalog Number:
AG000E5R
Chemical Name:
6-Benzothiazolecarboxylic acid, 2-hydrazinyl-
CAS Number:
117342-15-1
Molecular Formula:
C8H7N3O2S
Molecular Weight:
209.2251
IUPAC Name:
2-hydrazinyl-1,3-benzothiazole-6-carboxylic acid
InChI:
InChI=1S/C8H7N3O2S/c9-11-8-10-5-2-1-4(7(12)13)3-6(5)14-8/h1-3H,9H2,(H,10,11)(H,12,13)
InChI Key:
NDTXEFFFDXPUHG-UHFFFAOYSA-N
SMILES:
NNc1nc2c(s1)cc(cc2)C(=O)O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
209.223g/mol
Monoisotopic Mass:
209.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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