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Home > Fluorides > 868951-34-2
868951-34-2 | 9H-Fluorene, 9,9-bis(2-ethylhexyl)-2,7-bis[2-(4-methoxyphenyl)ethyl]-
CAS No: 868951-34-2 Catalog No: AG004LVL MDL No:
Product Description
Catalog Number:
AG004LVL
Chemical Name:
9H-Fluorene, 9,9-bis(2-ethylhexyl)-2,7-bis[2-(4-methoxyphenyl)ethyl]-
CAS Number:
868951-34-2
Molecular Formula:
C47H62O2
Molecular Weight:
658.9940
IUPAC Name:
9,9-bis(2-ethylhexyl)-2,7-bis[2-(4-methoxyphenyl)ethyl]fluorene
InChI:
InChI=1S/C47H62O2/c1-7-11-13-35(9-3)33-47(34-36(10-4)14-12-8-2)45-31-39(17-15-37-19-25-41(48-5)26-20-37)23-29-43(45)44-30-24-40(32-46(44)47)18-16-38-21-27-42(49-6)28-22-38/h19-32,35-36H,7-18,33-34H2,1-6H3
InChI Key:
FIJLWXWQJNFMER-UHFFFAOYSA-N
SMILES:
CCCCC(CC1(CC(CCCC)CC)c2cc(ccc2c2c1cc(cc2)CCc1ccc(cc1)OC)CCc1ccc(cc1)OC)CC
Properties
Complexity:
811
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
658.475g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
659.011g/mol
Monoisotopic Mass:
658.475g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
15.8
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