CAS 363-81-5 | 2,4,6-Trifluoroaniline | CAS Number 363-81-5

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363-81-5 | 2,4,6-Trifluoroaniline

CAS No: 363-81-5 Catalog No: AG003291 MDL No:MFCD00007650

Product Description

Catalog Number:

AG003291

Chemical Name:

2,4,6-Trifluoroaniline

CAS Number:

363-81-5

Molecular Formula:

C6H4F3N

Molecular Weight:

147.0979

MDL Number:

MFCD00007650

IUPAC Name:

2,4,6-trifluoroaniline

InChI:

InChI=1S/C6H4F3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2

InChI Key:

BJSVKBGQDHUBHZ-UHFFFAOYSA-N

SMILES:

Fc1cc(F)c(c(c1)F)N

EC Number:

206-660-8

Properties

Complexity:

108

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

147.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

147.1g/mol

Monoisotopic Mass:

147.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
FTIR and Raman spectra, DFT and normal coordinate computations of 2,4,5- and 2,4,6-tri-fluoroanilines.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090715
2,4,6-Trifluoro-aniline.	Acta crystallographica. Section E, Structure reports online 20081101