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102183-23-3 | Benzothiazole, 2-(9-anthracenyl)-
CAS No: 102183-23-3 Catalog No: AG0006T5 MDL No:
Product Description
Catalog Number:
AG0006T5
Chemical Name:
Benzothiazole, 2-(9-anthracenyl)-
CAS Number:
102183-23-3
Molecular Formula:
C21H13NS
Molecular Weight:
311.3996
IUPAC Name:
2-anthracen-9-yl-1,3-benzothiazole
InChI:
InChI=1S/C21H13NS/c1-3-9-16-14(7-1)13-15-8-2-4-10-17(15)20(16)21-22-18-11-5-6-12-19(18)23-21/h1-13H
InChI Key:
SRVXSICXEFUSNO-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(c1nc3c(s1)cccc3)c1c(c2)cccc1
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.077g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.402g/mol
Monoisotopic Mass:
311.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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