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1147124-23-9 | 2H-Indol-2-one, 6-bromo-3-[6-bromo-1-(2-ethylhexyl)-1,2-dihydro-2-oxo-3H-indol-3-ylidene]-1-(2-ethylhexyl)-1,3-dihydro-
CAS No: 1147124-23-9 Catalog No: AG000F3B MDL No:
Product Description
Catalog Number:
AG000F3B
Chemical Name:
2H-Indol-2-one, 6-bromo-3-[6-bromo-1-(2-ethylhexyl)-1,2-dihydro-2-oxo-3H-indol-3-ylidene]-1-(2-ethylhexyl)-1,3-dihydro-
CAS Number:
1147124-23-9
Molecular Formula:
C32H40Br2N2O2
Molecular Weight:
644.4802
IUPAC Name:
6-bromo-3-[6-bromo-1-(2-ethylhexyl)-2-oxoindol-3-ylidene]-1-(2-ethylhexyl)indol-2-one
InChI:
InChI=1S/C32H40Br2N2O2/c1-5-9-11-21(7-3)19-35-27-17-23(33)13-15-25(27)29(31(35)37)30-26-16-14-24(34)18-28(26)36(32(30)38)20-22(8-4)12-10-6-2/h13-18,21-22H,5-12,19-20H2,1-4H3
InChI Key:
HUEXOUHCCSVYLP-UHFFFAOYSA-N
SMILES:
CCCCC(CN1C(=O)C(=C2c3ccc(cc3N(C2=O)CC(CCCC)CC)Br)c2c1cc(Br)cc2)CC
Properties
Complexity:
792
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
644.144g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
644.492g/mol
Monoisotopic Mass:
642.146g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
9.6
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