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Home > Indoles and Oxindole > 19023-49-5
19023-49-5 | 2H-Isoindole, 1-phenyl-
CAS No: 19023-49-5 Catalog No: AG002EEU MDL No:
Product Description
Catalog Number:
AG002EEU
Chemical Name:
2H-Isoindole, 1-phenyl-
CAS Number:
19023-49-5
Molecular Formula:
C14H11N
Molecular Weight:
193.2438
IUPAC Name:
1-phenyl-2H-isoindole
InChI:
InChI=1S/C14H11N/c1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-14/h1-10,15H
InChI Key:
YCFOLQSTUQNCAS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1[nH]cc2c1cccc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.249g/mol
Monoisotopic Mass:
193.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| 2-(2-{[4-Oxo-3-(2-phenyl-eth-yl)-3,4-dihydro-quinazolin-2-yl]sulfan-yl}eth-yl)-2,3-dihydro-1H-isoindole-1,3-dione. | Acta crystallographica. Section E, Structure reports online 20120701 |
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