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Home > Indoles and Oxindole > 75258-83-2
75258-83-2 | 1H-Benz[f]isoindole-1,3(2H)-dione, 4-phenyl-
CAS No: 75258-83-2 Catalog No: AG005MPF MDL No:
Product Description
Catalog Number:
AG005MPF
Chemical Name:
1H-Benz[f]isoindole-1,3(2H)-dione, 4-phenyl-
CAS Number:
75258-83-2
Molecular Formula:
C18H11NO2
Molecular Weight:
273.2854
IUPAC Name:
4-phenylbenzo[f]isoindole-1,3-dione
InChI:
InChI=1S/C18H11NO2/c20-17-14-10-12-8-4-5-9-13(12)15(16(14)18(21)19-17)11-6-2-1-3-7-11/h1-10H,(H,19,20,21)
InChI Key:
LNILOIUZSRZYFQ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1cc1ccccc1c2c1ccccc1
NSC Number:
12102
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.291g/mol
Monoisotopic Mass:
273.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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