Cas no 918331-69-8 (1H-Isoindol-1-one, 2-(1-acetyl-4-piperidinyl)-5-bromo-2,3-dihydro-)
918331-69-8 structure
Product Name:1H-Isoindol-1-one, 2-(1-acetyl-4-piperidinyl)-5-bromo-2,3-dihydro-
CAS No:918331-69-8
MF:C15H17BrN2O2
MW:337.211683034897
CID:777655
PubChem ID:71427502
Update Time:2025-04-19
1H-Isoindol-1-one, 2-(1-acetyl-4-piperidinyl)-5-bromo-2,3-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Isoindol-1-one, 2-(1-acetyl-4-piperidinyl)-5-bromo-2,3-dihydro-
- 2-(1-acetylpiperidin-4-yl)-5-bromo-3H-isoindol-1-one
- 2-(1-Acetylpiperidin-4-yl)-5-bromo-2,3-dihydro-1H-isoindol-1-one
- DTXSID40846242
- 918331-69-8
-
- Inchi： 1S/C15H17BrN2O2/c1-10(19)17-6-4-13(5-7-17)18-9-11-8-12(16)2-3-14(11)15(18)20/h2-3,8,13H,4-7,9H2,1H3
- InChI Key： VZEFHBBEABTNSN-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)CN(C2=O)C1CCN(C(C)=O)CC1
Computed Properties
- Exact Mass: 336.04734g/mol
- Monoisotopic Mass: 336.04734g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 407
- 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: 1.7
- Topological Polar Surface Area: 40.6?2
1H-Isoindol-1-one, 2-(1-acetyl-4-piperidinyl)-5-bromo-2,3-dihydro- Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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