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99789-70-5 | Methanone, naphtho[1,2-d]thiazol-2-ylphenyl-
CAS No: 99789-70-5 Catalog No: AG003W1Y MDL No:
Product Description
Catalog Number:
AG003W1Y
Chemical Name:
Methanone, naphtho[1,2-d]thiazol-2-ylphenyl-
CAS Number:
99789-70-5
Molecular Formula:
C18H11NOS
Molecular Weight:
289.3510
IUPAC Name:
benzo[e][1,3]benzothiazol-2-yl(phenyl)methanone
InChI:
InChI=1S/C18H11NOS/c20-17(13-7-2-1-3-8-13)18-19-16-14-9-5-4-6-12(14)10-11-15(16)21-18/h1-11H
InChI Key:
RAUWAGDHBPOBDJ-UHFFFAOYSA-N
SMILES:
O=C(c1sc2c(n1)c1ccccc1cc2)c1ccccc1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.056g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.352g/mol
Monoisotopic Mass:
289.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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