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Home > Indoles and Oxindole > 137769-13-2
137769-13-2 | 1H-Benz[f]isoindole-1,3(2H)-dione, 2-[2,5-bis(1,1-dimethylethyl)phenyl]-
CAS No: 137769-13-2 Catalog No: AG0013T6 MDL No:
Product Description
Catalog Number:
AG0013T6
Chemical Name:
1H-Benz[f]isoindole-1,3(2H)-dione, 2-[2,5-bis(1,1-dimethylethyl)phenyl]-
CAS Number:
137769-13-2
Molecular Formula:
C26H27NO2
Molecular Weight:
385.4981
IUPAC Name:
2-(2,5-ditert-butylphenyl)benzo[f]isoindole-1,3-dione
InChI:
InChI=1S/C26H27NO2/c1-25(2,3)18-11-12-21(26(4,5)6)22(15-18)27-23(28)19-13-16-9-7-8-10-17(16)14-20(19)24(27)29/h7-15H,1-6H3
InChI Key:
XRSWKUAGQMBZDO-UHFFFAOYSA-N
SMILES:
O=C1c2cc3ccccc3cc2C(=O)N1c1cc(ccc1C(C)(C)C)C(C)(C)C
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.204g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.507g/mol
Monoisotopic Mass:
385.204g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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