Cas no 407-28-3 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- DTXSID20323102
- 3,5-difluoro-N-(3-fluorophenyl)aniline
- NSC403041
- 407-28-3
- NSC-403041
-
-
- Inchi： 1S/C12H8F3N/c13-8-2-1-3-11(5-8)16-12-6-9(14)4-10(15)7-12/h1-7,16H
- InChI Key： XOMGBMGRGJWPFB-UHFFFAOYSA-N
- SMILES： FC1C=C(C=C(C=1)NC1C=CC=C(C=1)F)F
Computed Properties
- Exact Mass: 223.06094
- Monoisotopic Mass: 223.06088375g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 214
- 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: 3.8
- Topological Polar Surface Area: 12?2
Experimental Properties
- PSA: 12.03
Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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5. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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