Home Halogens 5-bromo-2-methyl-3-(trifluoromethyl)aniline

5-bromo-2-methyl-3-(trifluoromethyl)aniline

CAS No.:
1804407-07-5
Catalog Number:
AG01BJIA
Molecular Formula:
C8H7BrF3N
Molecular Weight:
254.0471
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Product Description
Catalog Number:
AG01BJIA
Chemical Name:
5-bromo-2-methyl-3-(trifluoromethyl)aniline
CAS Number:
1804407-07-5
Molecular Formula:
C8H7BrF3N
Molecular Weight:
254.0471
MDL Number:
MFCD28746066
IUPAC Name:
5-bromo-2-methyl-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C8H7BrF3N/c1-4-6(8(10,11)12)2-5(9)3-7(4)13/h2-3H,13H2,1H3
InChI Key:
XDZUDCFTNIEMKJ-UHFFFAOYSA-N
SMILES:
Brc1cc(N)c(c(c1)C(F)(F)F)C
Properties
Complexity:
183  
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:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties