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820972-69-8 | Anthracene, 9-[4-[(1,1-dimethylethyl)thio]phenyl]-
CAS No: 820972-69-8 Catalog No: AG0051VF MDL No:
Product Description
Catalog Number:
AG0051VF
Chemical Name:
Anthracene, 9-[4-[(1,1-dimethylethyl)thio]phenyl]-
CAS Number:
820972-69-8
Molecular Formula:
C24H22S
Molecular Weight:
342.4965
IUPAC Name:
9-(4-tert-butylsulfanylphenyl)anthracene
InChI:
InChI=1S/C24H22S/c1-24(2,3)25-20-14-12-17(13-15-20)23-21-10-6-4-8-18(21)16-19-9-5-7-11-22(19)23/h4-16H,1-3H3
InChI Key:
UVQOAIHBBSDMNI-UHFFFAOYSA-N
SMILES:
CC(Sc1ccc(cc1)c1c2ccccc2cc2c1cccc2)(C)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.144g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.5g/mol
Monoisotopic Mass:
342.144g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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