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88841-60-5 | 1,2-Benzisothiazole, 2,3-dihydro-2-phenyl-
CAS No: 88841-60-5 Catalog No: AG004AIS MDL No:
Product Description
Catalog Number:
AG004AIS
Chemical Name:
1,2-Benzisothiazole, 2,3-dihydro-2-phenyl-
CAS Number:
88841-60-5
Molecular Formula:
C13H11NS
Molecular Weight:
213.2981
IUPAC Name:
2-phenyl-3H-1,2-benzothiazole
InChI:
InChI=1S/C13H11NS/c1-2-7-12(8-3-1)14-10-11-6-4-5-9-13(11)15-14/h1-9H,10H2
InChI Key:
ASNZVCBDITXYPS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1Cc2c(S1)cccc2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.298g/mol
Monoisotopic Mass:
213.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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