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1196051-71-4 | Benzenamine, 4-bromo-2-methyl-3-(trifluoromethyl)-
CAS No: 1196051-71-4 Catalog No: AG000P9Z MDL No:
Product Description
Catalog Number:
AG000P9Z
Chemical Name:
Benzenamine, 4-bromo-2-methyl-3-(trifluoromethyl)-
CAS Number:
1196051-71-4
Molecular Formula:
C8H7BrF3N
Molecular Weight:
254.0471
IUPAC Name:
4-bromo-2-methyl-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C8H7BrF3N/c1-4-6(13)3-2-5(9)7(4)8(10,11)12/h2-3H,13H2,1H3
InChI Key:
OVVBJFLSEAQMNJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1C(F)(F)F)C)N
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
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