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75998-21-9 | 1H-Indene-1,3(2H)-dione, 2-(1H-benzimidazol-2-yl)-
CAS No: 75998-21-9 Catalog No: AG005GSZ MDL No:
Product Description
Catalog Number:
AG005GSZ
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(1H-benzimidazol-2-yl)-
CAS Number:
75998-21-9
Molecular Formula:
C16H10N2O2
Molecular Weight:
262.2628
IUPAC Name:
2-(1H-benzimidazol-2-yl)indene-1,3-dione
InChI:
InChI=1S/C16H10N2O2/c19-14-9-5-1-2-6-10(9)15(20)13(14)16-17-11-7-3-4-8-12(11)18-16/h1-8,13H,(H,17,18)
InChI Key:
ZWUSYMIQTIYAEY-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)C1c1nc2c([nH]1)cccc2
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.268g/mol
Monoisotopic Mass:
262.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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