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Home > Indoles and Oxindole > 2021-26-3
2021-26-3 | 1H-Isoindole-1,3(2H)-dione, 5-phenyl-
CAS No: 2021-26-3 Catalog No: AG00282C MDL No:
Product Description
Catalog Number:
AG00282C
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5-phenyl-
CAS Number:
2021-26-3
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
IUPAC Name:
5-phenylisoindole-1,3-dione
InChI:
InChI=1S/C14H9NO2/c16-13-11-7-6-10(8-12(11)14(17)15-13)9-4-2-1-3-5-9/h1-8H,(H,15,16,17)
InChI Key:
FCSWIKQIQMHZKO-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1cc(cc2)c1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.231g/mol
Monoisotopic Mass:
223.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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