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101084-95-1 | 5-Benzothiazolecarboxylic acid, 2-amino-
CAS No: 101084-95-1 Catalog No: AG0003QD MDL No:MFCD00160079
Product Description
Catalog Number:
AG0003QD
Chemical Name:
5-Benzothiazolecarboxylic acid, 2-amino-
CAS Number:
101084-95-1
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
MDL Number:
MFCD00160079
IUPAC Name:
2-amino-1,3-benzothiazole-5-carboxylic acid
InChI:
InChI=1S/C8H6N2O2S/c9-8-10-5-3-4(7(11)12)1-2-6(5)13-8/h1-3H,(H2,9,10)(H,11,12)
InChI Key:
RPSPJTVLMPMYKL-UHFFFAOYSA-N
SMILES:
Nc1sc2c(n1)cc(cc2)C(=O)O
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:
1.6
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