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116646-52-7 | 2-Anthracenol, 3-(2-benzothiazolyl)-
CAS No: 116646-52-7 Catalog No: AG000CXV MDL No:
Product Description
Catalog Number:
AG000CXV
Chemical Name:
2-Anthracenol, 3-(2-benzothiazolyl)-
CAS Number:
116646-52-7
Molecular Formula:
C21H13NOS
Molecular Weight:
327.3990
IUPAC Name:
3-(1,3-benzothiazol-2-yl)anthracen-2-ol
InChI:
InChI=1S/C21H13NOS/c23-19-12-16-10-14-6-2-1-5-13(14)9-15(16)11-17(19)21-22-18-7-3-4-8-20(18)24-21/h1-12,23H
InChI Key:
UQHJALYAEGANDI-UHFFFAOYSA-N
SMILES:
Oc1cc2cc3ccccc3cc2cc1c1nc2c(s1)cccc2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.072g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.401g/mol
Monoisotopic Mass:
327.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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