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67815-56-9 | 2,3,6-Trifluoroaniline
CAS No: 67815-56-9 Catalog No: AG003FFS MDL No:MFCD00012369
Product Description
Catalog Number:
AG003FFS
Chemical Name:
2,3,6-Trifluoroaniline
CAS Number:
67815-56-9
Molecular Formula:
C6H4F3N
Molecular Weight:
147.0979
MDL Number:
MFCD00012369
IUPAC Name:
2,3,6-trifluoroaniline
InChI:
InChI=1S/C6H4F3N/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,10H2
InChI Key:
RGUGZPYYMOAJLO-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1F)N)F
Properties
Complexity:
120
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:
1.5
Literature
| Title | Journal |
|---|---|
| FTIR and Raman spectra and SQM force field calculation for vibrational analysis of 2,3,4- and 2,3,6-tri-fluoro-anilines. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090701 |
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