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Home > Fluorides > 853767-19-8
853767-19-8 | 3,4,5-Trifluoro-N-methylaniline
CAS No: 853767-19-8 Catalog No: AG01EXSO MDL No:
Product Description
Catalog Number:
AG01EXSO
Chemical Name:
3,4,5-Trifluoro-N-methylaniline
CAS Number:
853767-19-8
Molecular Formula:
C7H6F3N
Molecular Weight:
161.1244
IUPAC Name:
3,4,5-trifluoro-N-methylaniline
InChI:
InChI=1S/C7H6F3N/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3,11H,1H3
InChI Key:
YVTQLPWPYCFPQQ-UHFFFAOYSA-N
SMILES:
CNc1cc(F)c(c(c1)F)F
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.127g/mol
Monoisotopic Mass:
161.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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