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Home > Indoles and Oxindole > 27111-40-6
27111-40-6 | 2-(1H-1,3-Benzodiazol-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 27111-40-6 Catalog No: AG01EUNH MDL No:
Product Description
Catalog Number:
AG01EUNH
Chemical Name:
2-(1H-1,3-Benzodiazol-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
27111-40-6
Molecular Formula:
C15H9N3O2
Molecular Weight:
263.2509
IUPAC Name:
2-(1H-benzimidazol-2-yl)isoindole-1,3-dione
InChI:
InChI=1S/C15H9N3O2/c19-13-9-5-1-2-6-10(9)14(20)18(13)15-16-11-7-3-4-8-12(11)17-15/h1-8H,(H,16,17)
InChI Key:
NTOICXTUXLGFJM-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)N1c1nc2c([nH]1)cccc2
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.256g/mol
Monoisotopic Mass:
263.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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