Cas no 106969-11-3 (Benzenamine,4-chloro-5-(difluoromethoxy)-2-fluoro-)
106969-11-3 structure
Product Name:Benzenamine,4-chloro-5-(difluoromethoxy)-2-fluoro-
CAS No:106969-11-3
MF:C7H5ClF3NO
MW:211.568911314011
CID:237579
PubChem ID:184767
Update Time:2025-04-19
Benzenamine,4-chloro-5-(difluoromethoxy)-2-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,4-chloro-5-(difluoromethoxy)-2-fluoro-
- 4-chloro-5-(difluoromethoxy)-2-fluoroaniline
- AC1L4FIW
- AC1Q3MH7
- ACMC-20c5z1
- AG-K-79017
- AR-1G1683
- CTK4A4887
- 106969-11-3
- DTXSID00147843
- 4-chloro-2-fluoro-5-difluoromethoxyaniline
- 4-Chloro-5-difluoromethoxy-2-fluoroaniline
- SCHEMBL10811265
-
- Inchi： 1S/C7H5ClF3NO/c8-3-1-4(9)5(12)2-6(3)13-7(10)11/h1-2,7H,12H2
- InChI Key： PTHNSFLXVRTKDL-UHFFFAOYSA-N
- SMILES： ClC1=CC(=C(C=C1OC(F)F)N)F
Computed Properties
- Exact Mass: 211.00125
- Monoisotopic Mass: 211.0011760g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 172
- 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: 2.9
- Topological Polar Surface Area: 35.2?2
Experimental Properties
- PSA: 35.25
Benzenamine,4-chloro-5-(difluoromethoxy)-2-fluoro- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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