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Home > Bromides > 1233518-25-6
1233518-25-6 | 4-Bromo-N-methyl-3-(trifluoromethyl)aniline
CAS No: 1233518-25-6 Catalog No: AG01FAVF MDL No:
Product Description
Catalog Number:
AG01FAVF
Chemical Name:
4-Bromo-N-methyl-3-(trifluoromethyl)aniline
CAS Number:
1233518-25-6
Molecular Formula:
C8H7BrF3N
Molecular Weight:
254.0471
IUPAC Name:
4-bromo-N-methyl-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C8H7BrF3N/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4,13H,1H3
InChI Key:
WSTZKPWXJMMCIK-UHFFFAOYSA-N
SMILES:
CNc1ccc(c(c1)C(F)(F)F)Br
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
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