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100880-61-3 | 1H-Isoindole-1,3(2H)-dione, 2-[(4-aminophenyl)methyl]-
CAS No: 100880-61-3 Catalog No: AG00033D MDL No:
Product Description
Catalog Number:
AG00033D
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(4-aminophenyl)methyl]-
CAS Number:
100880-61-3
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
2-[(4-aminophenyl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C15H12N2O2/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9,16H2
InChI Key:
FPSRUFWSIDRGBT-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccc(cc2)N)C(=O)c2c1cccc2
Properties
Complexity:
350
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:
2
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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