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Home > Imidazoles > 760130-59-4
760130-59-4 | 2-(1H-imidazol-2-ylmethyl)-1H-isoindole-1,3(2H)-dione
CAS No: 760130-59-4 Catalog No: AG00J7BX MDL No:MFCD20180726
Product Description
Catalog Number:
AG00J7BX
Chemical Name:
2-(1H-imidazol-2-ylmethyl)-1H-isoindole-1,3(2H)-dione
CAS Number:
760130-59-4
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
MDL Number:
MFCD20180726
IUPAC Name:
2-(1H-imidazol-2-ylmethyl)isoindole-1,3-dione
InChI:
InChI=1S/C12H9N3O2/c16-11-8-3-1-2-4-9(8)12(17)15(11)7-10-13-5-6-14-10/h1-6H,7H2,(H,13,14)
InChI Key:
RRAMJPGYKFBBSF-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ncc[nH]2)C(=O)c2c1cccc2
Properties
Complexity:
321
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:
1
Isotope Atom Count:
0
Molecular Weight:
227.223g/mol
Monoisotopic Mass:
227.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-bromo-benzoate. | Acta crystallographica. Section E, Structure reports online 20090501 |
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