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13314-96-0 | 1H-Isoindole-1,3(2H)-dione, 2-[(phenylamino)methyl]-
CAS No: 13314-96-0 Catalog No: AG0014BE MDL No:MFCD00221821
Product Description
Catalog Number:
AG0014BE
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(phenylamino)methyl]-
CAS Number:
13314-96-0
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
MDL Number:
MFCD00221821
IUPAC Name:
2-(anilinomethyl)isoindole-1,3-dione
InChI:
InChI=1S/C15H12N2O2/c18-14-12-8-4-5-9-13(12)15(19)17(14)10-16-11-6-2-1-3-7-11/h1-9,16H,10H2
InChI Key:
YQBGAGYLFPRNEM-UHFFFAOYSA-N
SMILES:
O=C1N(CNc2ccccc2)C(=O)c2c1cccc2
NSC Number:
49226
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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