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81536-13-2 | 9H-Fluorene,9-[(2,4,6-trimethylphenyl)thio]-
CAS No: 81536-13-2 Catalog No: AG005K7E MDL No:
Product Description
Catalog Number:
AG005K7E
Chemical Name:
9H-Fluorene,9-[(2,4,6-trimethylphenyl)thio]-
CAS Number:
81536-13-2
Molecular Formula:
C22H20S
Molecular Weight:
316.4592
IUPAC Name:
9-(2,4,6-trimethylphenyl)sulfanyl-9H-fluorene
InChI:
InChI=1S/C22H20S/c1-14-12-15(2)21(16(3)13-14)23-22-19-10-6-4-8-17(19)18-9-5-7-11-20(18)22/h4-13,22H,1-3H3
InChI Key:
VHTMXGXGHDTJGH-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)SC1c2ccccc2c2c1cccc2
NSC Number:
140127
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.129g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.462g/mol
Monoisotopic Mass:
316.129g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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