Cas no 98303-85-6 (2H-Azepin-2-one,1-(2-chloroacetyl)hexahydro-)
98303-85-6 structure
Product Name:2H-Azepin-2-one,1-(2-chloroacetyl)hexahydro-
CAS No:98303-85-6
MF:C8H12ClNO2
MW:189.639381408691
CID:801728
PubChem ID:13788264
Update Time:2025-04-19
2H-Azepin-2-one,1-(2-chloroacetyl)hexahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Azepin-2-one,1-(2-chloroacetyl)hexahydro-
- 1-(2-chloroacetyl)azepan-2-one
- 2H-Azepin-2-one, 1-(chloroacetyl)hexahydro- (9CI)
- SCHEMBL10607516
- 1-(Chloroacetyl)azepan-2-one
- 98303-85-6
- DTXSID20549466
-
- Inchi： 1S/C8H12ClNO2/c9-6-8(12)10-5-3-1-2-4-7(10)11/h1-6H2
- InChI Key： LAMSKASPJIPWBI-UHFFFAOYSA-N
- SMILES： ClCC(N1C(CCCCC1)=O)=O
Computed Properties
- Exact Mass: 189.0556563g/mol
- Monoisotopic Mass: 189.0556563g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 194
- 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: 37.4?2
2H-Azepin-2-one,1-(2-chloroacetyl)hexahydro- Related Literature
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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