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114482-15-4 | 9H-Fluoren-2-amine, 9,9-diethyl-7-nitro-N,N-diphenyl-
CAS No: 114482-15-4 Catalog No: AG000EHS MDL No:
Product Description
Catalog Number:
AG000EHS
Chemical Name:
9H-Fluoren-2-amine, 9,9-diethyl-7-nitro-N,N-diphenyl-
CAS Number:
114482-15-4
Molecular Formula:
C29H26N2O2
Molecular Weight:
434.5289
IUPAC Name:
9,9-diethyl-7-nitro-N,N-diphenylfluoren-2-amine
InChI:
InChI=1S/C29H26N2O2/c1-3-29(4-2)27-19-23(15-17-25(27)26-18-16-24(31(32)33)20-28(26)29)30(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-20H,3-4H2,1-2H3
InChI Key:
ZSYJOCAWUSKUAJ-UHFFFAOYSA-N
SMILES:
CCC1(CC)c2cc(ccc2c2c1cc(cc2)[N+](=O)[O-])N(c1ccccc1)c1ccccc1
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.199g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.539g/mol
Monoisotopic Mass:
434.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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