Cas no 873009-32-6 (BENZENECARBOXIMIDOYL CHLORIDE, 4-CYANO-2-FLUORO-N-HYDROXY-)
873009-32-6 structure
Product Name:BENZENECARBOXIMIDOYL CHLORIDE, 4-CYANO-2-FLUORO-N-HYDROXY-
CAS No:873009-32-6
MF:C8H4ClFN2O
MW:198.581563949585
CID:3375350
PubChem ID:86087989
Update Time:2025-04-21
BENZENECARBOXIMIDOYL CHLORIDE, 4-CYANO-2-FLUORO-N-HYDROXY- Chemical and Physical Properties
Names and Identifiers
-
- BENZENECARBOXIMIDOYL CHLORIDE, 4-CYANO-2-FLUORO-N-HYDROXY-
- 4-cyano-2-fluoro-N-hydroxy-benzenecarboximidoyl chloride
- 873009-32-6
- IRESNXADMYHJPE-UHFFFAOYSA-N
- DB-088247
-
- Inchi： 1S/C8H4ClFN2O/c9-8(12-13)6-2-1-5(4-11)3-7(6)10/h1-3,13H
- InChI Key： IRESNXADMYHJPE-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(C#N)=CC=1F)=NO
Computed Properties
- Exact Mass: 197.9996186Da
- Monoisotopic Mass: 197.9996186Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 260
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.5
- Topological Polar Surface Area: 56.4?2
BENZENECARBOXIMIDOYL CHLORIDE, 4-CYANO-2-FLUORO-N-HYDROXY- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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