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918158-28-8 | 1H-Phenalene-1,3(2H)-dione, 2-(2-benzothiazolyl)-
CAS No: 918158-28-8 Catalog No: AG006LAG MDL No:
Product Description
Catalog Number:
AG006LAG
Chemical Name:
1H-Phenalene-1,3(2H)-dione, 2-(2-benzothiazolyl)-
CAS Number:
918158-28-8
Molecular Formula:
C20H11NO2S
Molecular Weight:
329.3718
IUPAC Name:
2-(1,3-benzothiazol-2-yl)phenalene-1,3-dione
InChI:
InChI=1S/C20H11NO2S/c22-18-12-7-3-5-11-6-4-8-13(16(11)12)19(23)17(18)20-21-14-9-1-2-10-15(14)24-20/h1-10,17H
InChI Key:
OAVCSCGLPHRXMD-UHFFFAOYSA-N
SMILES:
O=C1C(c2nc3c(s2)cccc3)C(=O)c2c3c1cccc3ccc2
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.051g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.373g/mol
Monoisotopic Mass:
329.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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