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163733-96-8 | Benzenamine, 3,4,5-trifluoro-
CAS No: 163733-96-8 Catalog No: AG001UCL MDL No:MFCD00083522
Product Description
Catalog Number:
AG001UCL
Chemical Name:
Benzenamine, 3,4,5-trifluoro-
CAS Number:
163733-96-8
Molecular Formula:
C6H4F3N
Molecular Weight:
147.0979
MDL Number:
MFCD00083522
IUPAC Name:
3,4,5-trifluoroaniline
InChI:
InChI=1S/C6H4F3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
InChI Key:
SZRDJHHKIJHJHQ-UHFFFAOYSA-N
SMILES:
Nc1cc(F)c(c(c1)F)F
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.1g/mol
Monoisotopic Mass:
147.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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