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83660-70-2

83660-70-2 | Benzenamine, 4-[4-(2-chloro-1,1,2-trifluoroethoxy)phenoxy]-

CAS No: 83660-70-2 Catalog No: AG004Y26 MDL No:

Product Description

Catalog Number:
AG004Y26
Chemical Name:
Benzenamine, 4-[4-(2-chloro-1,1,2-trifluoroethoxy)phenoxy]-
CAS Number:
83660-70-2
Molecular Formula:
C14H11ClF3NO2
Molecular Weight:
317.6908
IUPAC Name:
4-[4-(2-chloro-1,1,2-trifluoroethoxy)phenoxy]aniline
InChI:
InChI=1S/C14H11ClF3NO2/c15-13(16)14(17,18)21-12-7-5-11(6-8-12)20-10-3-1-9(19)2-4-10/h1-8,13H,19H2
InChI Key:
FHDAAFKNNOZYAK-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Oc1ccc(cc1)OC(C(Cl)F)(F)F

Properties

Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.043g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
317.692g/mol
Monoisotopic Mass:
317.043g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

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