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Home > Fluorides > 216982-01-3
216982-01-3 | 4-Fluoro-N-methyl-3-(trifluoromethyl)aniline
CAS No: 216982-01-3 Catalog No: AG01FARL MDL No:
Product Description
Catalog Number:
AG01FARL
Chemical Name:
4-Fluoro-N-methyl-3-(trifluoromethyl)aniline
CAS Number:
216982-01-3
Molecular Formula:
C8H7F4N
Molecular Weight:
193.1415
IUPAC Name:
4-fluoro-N-methyl-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C8H7F4N/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4,13H,1H3
InChI Key:
PIRDWQBTHFZINC-UHFFFAOYSA-N
SMILES:
CNc1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.145g/mol
Monoisotopic Mass:
193.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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