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Home > Indoles and Oxindole > 39673-98-8
39673-98-8 | 2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]isoindole-1,3-dione
CAS No: 39673-98-8 Catalog No: AG0077VC MDL No:
Product Description
Catalog Number:
AG0077VC
Chemical Name:
2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]isoindole-1,3-dione
CAS Number:
39673-98-8
Molecular Formula:
C29H18N2O4
Molecular Weight:
458.4642
IUPAC Name:
2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]isoindole-1,3-dione
InChI:
InChI=1S/C29H18N2O4/c32-26-22-5-1-2-6-23(22)27(33)30(26)20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)31-28(34)24-7-3-4-8-25(24)29(31)35/h1-16H,17H2
InChI Key:
LFVOAXPHCGOYJJ-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccc(cc2)Cc2ccc(cc2)N2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
NSC Number:
94820
Properties
Complexity:
752
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.127g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.473g/mol
Monoisotopic Mass:
458.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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