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82153-17-1 | 1,2-Benzisothiazol-3(2H)-one, 2-(1-naphthalenyl)-
CAS No: 82153-17-1 Catalog No: AG0059X4 MDL No:
Product Description
Catalog Number:
AG0059X4
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-(1-naphthalenyl)-
CAS Number:
82153-17-1
Molecular Formula:
C17H11NOS
Molecular Weight:
277.3403
IUPAC Name:
2-naphthalen-1-yl-1,2-benzothiazol-3-one
InChI:
InChI=1S/C17H11NOS/c19-17-14-9-3-4-11-16(14)20-18(17)15-10-5-7-12-6-1-2-8-13(12)15/h1-11H
InChI Key:
ZZGGLSHLBVZOQU-UHFFFAOYSA-N
SMILES:
O=c1c2ccccc2sn1c1cccc2c1cccc2
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.341g/mol
Monoisotopic Mass:
277.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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