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918647-53-7 | 4H-1,3-Benzothiazin-4-one, 2-(2-anthracenyl)-
CAS No: 918647-53-7 Catalog No: AG006CJ2 MDL No:
Product Description
Catalog Number:
AG006CJ2
Chemical Name:
4H-1,3-Benzothiazin-4-one, 2-(2-anthracenyl)-
CAS Number:
918647-53-7
Molecular Formula:
C22H13NOS
Molecular Weight:
339.4097
IUPAC Name:
2-anthracen-2-yl-1,3-benzothiazin-4-one
InChI:
InChI=1S/C22H13NOS/c24-21-19-7-3-4-8-20(19)25-22(23-21)17-10-9-16-11-14-5-1-2-6-15(14)12-18(16)13-17/h1-13H
InChI Key:
FNEJQFBYVPFXMR-UHFFFAOYSA-N
SMILES:
O=c1nc(sc2c1cccc2)c1ccc2c(c1)cc1c(c2)cccc1
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.072g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.412g/mol
Monoisotopic Mass:
339.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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