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Home > Indoles and Oxindole > 105260-10-4
105260-10-4 | 1H-Isoindole-1,3(2H)-dione,2-(2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl)-
CAS No: 105260-10-4 Catalog No: AG00HAMH MDL No:MFCD22689172
Product Description
Catalog Number:
AG00HAMH
Chemical Name:
1H-Isoindole-1,3(2H)-dione,2-(2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl)-
CAS Number:
105260-10-4
Molecular Formula:
C18H14N2O3
Molecular Weight:
306.3154
MDL Number:
MFCD22689172
IUPAC Name:
2-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)isoindole-1,3-dione
InChI:
InChI=1S/C18H14N2O3/c21-16-15(10-9-11-5-1-4-8-14(11)19-16)20-17(22)12-6-2-3-7-13(12)18(20)23/h1-8,15H,9-10H2,(H,19,21)
InChI Key:
SMZOPJDSHVNPHT-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2CCC1N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.321g/mol
Monoisotopic Mass:
306.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microwave-assisted Synthesis of an Important Intermediate of Benazepril. | Indian journal of pharmaceutical sciences 20100101 |
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