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Home > Indoles and Oxindole > 2852-16-6
2852-16-6 | 2-(pyrimidin-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 2852-16-6 Catalog No: AG00PMZZ MDL No:MFCD00445476
Product Description
Catalog Number:
AG00PMZZ
Chemical Name:
2-(pyrimidin-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
2852-16-6
Molecular Formula:
C12H7N3O2
Molecular Weight:
225.2029
MDL Number:
MFCD00445476
IUPAC Name:
2-pyrimidin-2-ylisoindole-1,3-dione
InChI:
InChI=1S/C12H7N3O2/c16-10-8-4-1-2-5-9(8)11(17)15(10)12-13-6-3-7-14-12/h1-7H
InChI Key:
BEGXVUFOJCGFMW-UHFFFAOYSA-N
SMILES:
O=C1N(c2ncccn2)C(=O)c2c1cccc2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.207g/mol
Monoisotopic Mass:
225.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| 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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