Home Halogens 4-bromo-N-(2,2,2-trifluoroethyl)aniline

4-bromo-N-(2,2,2-trifluoroethyl)aniline

CAS No.:
50885-29-5
Catalog Number:
AG019XYL
Molecular Formula:
C8H7BrF3N
Molecular Weight:
254.0471
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Product Description
Catalog Number:
AG019XYL
Chemical Name:
4-bromo-N-(2,2,2-trifluoroethyl)aniline
CAS Number:
50885-29-5
Molecular Formula:
C8H7BrF3N
Molecular Weight:
254.0471
MDL Number:
MFCD11153109
IUPAC Name:
4-bromo-N-(2,2,2-trifluoroethyl)aniline
InChI:
InChI=1S/C8H7BrF3N/c9-6-1-3-7(4-2-6)13-5-8(10,11)12/h1-4,13H,5H2
InChI Key:
JHMCLUDNRSGKDA-UHFFFAOYSA-N
SMILES:
FC(CNc1ccc(cc1)Br)(F)F
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.971g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.05g/mol
Monoisotopic Mass:
252.971g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties