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

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

CAS No.:
1187929-44-7
Catalog Number:
AG00HEQW
Molecular Formula:
C8H7BrF3N
Molecular Weight:
254.0471
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Product Description
Catalog Number:
AG00HEQW
Chemical Name:
3-bromo-N-methyl-5-(trifluoromethyl)aniline
CAS Number:
1187929-44-7
Molecular Formula:
C8H7BrF3N
Molecular Weight:
254.0471
MDL Number:
MFCD12913702
IUPAC Name:
3-bromo-N-methyl-5-(trifluoromethyl)aniline
InChI:
InChI=1S/C8H7BrF3N/c1-13-7-3-5(8(10,11)12)2-6(9)4-7/h2-4,13H,1H3
InChI Key:
WSMOGZRZCKKEOS-UHFFFAOYSA-N
SMILES:
CNc1cc(Br)cc(c1)C(F)(F)F
Properties
Complexity:
171  
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:
1  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties