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221541-80-6 | 4,7-Benzothiazoledione, 2-phenyl-
CAS No: 221541-80-6 Catalog No: AG006ZTK MDL No:
Product Description
Catalog Number:
AG006ZTK
Chemical Name:
4,7-Benzothiazoledione, 2-phenyl-
CAS Number:
221541-80-6
Molecular Formula:
C13H7NO2S
Molecular Weight:
241.2652
IUPAC Name:
2-phenyl-1,3-benzothiazole-4,7-dione
InChI:
InChI=1S/C13H7NO2S/c15-9-6-7-10(16)12-11(9)14-13(17-12)8-4-2-1-3-5-8/h1-7H
InChI Key:
CRXAISJCYRXEQF-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)c2c1sc(n2)c1ccccc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.02g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.264g/mol
Monoisotopic Mass:
241.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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