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1368530-92-0 | 5-Benzothiazolecarboxylic acid, 2-(1-methylethyl)-
CAS No: 1368530-92-0 Catalog No: AG0012H9 MDL No:
Product Description
Catalog Number:
AG0012H9
Chemical Name:
5-Benzothiazolecarboxylic acid, 2-(1-methylethyl)-
CAS Number:
1368530-92-0
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
IUPAC Name:
2-propan-2-yl-1,3-benzothiazole-5-carboxylic acid
InChI:
InChI=1S/C11H11NO2S/c1-6(2)10-12-8-5-7(11(13)14)3-4-9(8)15-10/h3-6H,1-2H3,(H,13,14)
InChI Key:
SLCMRYDRRSPOKH-UHFFFAOYSA-N
SMILES:
CC(c1sc2c(n1)cc(cc2)C(=O)O)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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