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131123-99-4 | 2-Benzothiazolecarboxylic acid, 6-nitro-
CAS No: 131123-99-4 Catalog No: AG000VK5 MDL No:
Product Description
Catalog Number:
AG000VK5
Chemical Name:
2-Benzothiazolecarboxylic acid, 6-nitro-
CAS Number:
131123-99-4
Molecular Formula:
C8H4N2O4S
Molecular Weight:
224.1934
IUPAC Name:
6-nitro-1,3-benzothiazole-2-carboxylic acid
InChI:
InChI=1S/C8H4N2O4S/c11-8(12)7-9-5-2-1-4(10(13)14)3-6(5)15-7/h1-3H,(H,11,12)
InChI Key:
UFXVPVVGWNZWOU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)sc(n2)C(=O)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.19g/mol
Monoisotopic Mass:
223.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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