Cas no 864866-82-0 (1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(phenylmethyl)-)
864866-82-0 structure
Product Name:1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(phenylmethyl)-
CAS No:864866-82-0
MF:C15H12BrNO
MW:302.16588306427
CID:661576
PubChem ID:23158230
Update Time:2025-04-19
1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(phenylmethyl)-
- 2-benzyl-5-bromo-3H-isoindol-1-one
- DTXSID60631096
- OVWPELQNXWSRDN-UHFFFAOYSA-N
- 2-benzyl-5-bromo-2,3-dihydro-isoindol-1-one
- 864866-82-0
- 2-Benzyl-5-bromo-2,3-dihydro-1H-isoindol-1-one
- SCHEMBL1500111
- 2-benzyl-5-bromoisoindolin-1-one
-
- Inchi： 1S/C15H12BrNO/c16-13-6-7-14-12(8-13)10-17(15(14)18)9-11-4-2-1-3-5-11/h1-8H,9-10H2
- InChI Key： OVWPELQNXWSRDN-UHFFFAOYSA-N
- SMILES： BrC1C=CC2C(N(CC3C=CC=CC=3)CC=2C=1)=O
Computed Properties
- Exact Mass: 301.01023g/mol
- Monoisotopic Mass: 301.01023g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 314
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 20.3?2
1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(phenylmethyl)- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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