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Home > Indoles and Oxindole > 115397-98-3
115397-98-3 | 1H-Isoindol-1-one, 3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl)-
CAS No: 115397-98-3 Catalog No: AG000FXN MDL No:
Product Description
Catalog Number:
AG000FXN
Chemical Name:
1H-Isoindol-1-one, 3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl)-
CAS Number:
115397-98-3
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
(2-benzyl-3-oxo-1H-isoindol-1-yl) acetate
InChI:
InChI=1S/C17H15NO3/c1-12(19)21-17-15-10-6-5-9-14(15)16(20)18(17)11-13-7-3-2-4-8-13/h2-10,17H,11H2,1H3
InChI Key:
BKEWXAXOYWXZRP-UHFFFAOYSA-N
SMILES:
CC(=O)OC1N(Cc2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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