Home Halogens 2-bromo-4-fluoro-5-(trifluoromethoxy)aniline

2-bromo-4-fluoro-5-(trifluoromethoxy)aniline

CAS No.:
1806981-27-0
Catalog Number:
AG01B79E
Molecular Formula:
C7H4BrF4NO
Molecular Weight:
274.0104
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Product Description
Catalog Number:
AG01B79E
Chemical Name:
2-bromo-4-fluoro-5-(trifluoromethoxy)aniline
CAS Number:
1806981-27-0
Molecular Formula:
C7H4BrF4NO
Molecular Weight:
274.0104
MDL Number:
MFCD28096570
IUPAC Name:
2-bromo-4-fluoro-5-(trifluoromethoxy)aniline
InChI:
InChI=1S/C7H4BrF4NO/c8-3-1-4(9)6(2-5(3)13)14-7(10,11)12/h1-2H,13H2
InChI Key:
NNYYXTHPUFLAOQ-UHFFFAOYSA-N
SMILES:
Fc1cc(Br)c(cc1OC(F)(F)F)N
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.941g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
274.013g/mol
Monoisotopic Mass:
272.941g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties