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Home > Indoles and Oxindole > 59208-47-8
59208-47-8 | 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione
CAS No: 59208-47-8 Catalog No: AG00J86H MDL No:MFCD00786105
Product Description
Catalog Number:
AG00J86H
Chemical Name:
2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione
CAS Number:
59208-47-8
Molecular Formula:
C10H6N4O2
Molecular Weight:
214.1802
MDL Number:
MFCD00786105
IUPAC Name:
2-(1H-1,2,4-triazol-5-yl)isoindole-1,3-dione
InChI:
InChI=1S/C10H6N4O2/c15-8-6-3-1-2-4-7(6)9(16)14(8)10-11-5-12-13-10/h1-5H,(H,11,12,13)
InChI Key:
HRTUZSIPQLUAJL-UHFFFAOYSA-N
SMILES:
O=C1N(c2n[nH]cn2)C(=O)c2c1cccc2
NSC Number:
4921
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.184g/mol
Monoisotopic Mass:
214.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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