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Home > Imidazoles > 88883-77-6
88883-77-6 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(1H-imidazol-2-yl)ethyl]-
CAS No: 88883-77-6 Catalog No: AG00IFIA MDL No:MFCD15146447
Product Description
Catalog Number:
AG00IFIA
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(1H-imidazol-2-yl)ethyl]-
CAS Number:
88883-77-6
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
MDL Number:
MFCD15146447
IUPAC Name:
2-[2-(1H-imidazol-2-yl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C13H11N3O2/c17-12-9-3-1-2-4-10(9)13(18)16(12)8-5-11-14-6-7-15-11/h1-4,6-7H,5,8H2,(H,14,15)
InChI Key:
UACMVISDTWGEFG-UHFFFAOYSA-N
SMILES:
O=C1N(CCc2ncc[nH]2)C(=O)c2c1cccc2
NSC Number:
602336
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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