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Home > Fluorides > 859437-43-7
859437-43-7 | 9H-Fluorene, 9,9-diethyl-2,7-bis[2-(4-nitrophenyl)ethenyl]-
CAS No: 859437-43-7 Catalog No: AG004MSD MDL No:
Product Description
Catalog Number:
AG004MSD
Chemical Name:
9H-Fluorene, 9,9-diethyl-2,7-bis[2-(4-nitrophenyl)ethenyl]-
CAS Number:
859437-43-7
Molecular Formula:
C33H28N2O4
Molecular Weight:
516.5864
IUPAC Name:
9,9-diethyl-2,7-bis[2-(4-nitrophenyl)ethenyl]fluorene
InChI:
InChI=1S/C33H28N2O4/c1-3-33(4-2)31-21-25(7-5-23-9-15-27(16-10-23)34(36)37)13-19-29(31)30-20-14-26(22-32(30)33)8-6-24-11-17-28(18-12-24)35(38)39/h5-22H,3-4H2,1-2H3
InChI Key:
BUGAYAFVHHNLFE-UHFFFAOYSA-N
SMILES:
CCC1(CC)c2cc(ccc2c2c1cc(cc2)C=Cc1ccc(cc1)[N+](=O)[O-])C=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
830
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.205g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.597g/mol
Monoisotopic Mass:
516.205g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
9.7
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