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Home > Indoles and Oxindole > 678967-84-5
678967-84-5 | 2-(1-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 678967-84-5 Catalog No: AG01CA6U MDL No:MFCD00122347
Product Description
Catalog Number:
AG01CA6U
Chemical Name:
2-(1-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
678967-84-5
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
MDL Number:
MFCD00122347
IUPAC Name:
2-(2-methylpyrazol-3-yl)isoindole-1,3-dione
InChI:
InChI=1S/C12H9N3O2/c1-14-10(6-7-13-14)15-11(16)8-4-2-3-5-9(8)12(15)17/h2-7H,1H3
InChI Key:
RVRRQJKKCBRZHG-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)N1c1ccnn1C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.223g/mol
Monoisotopic Mass:
227.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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