CAS 1583-76-2 | Benzeneethanamine, 2,3,4,5,6-pentafluoro- | CAS Number 1583-76-2

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1583-76-2 | Benzeneethanamine, 2,3,4,5,6-pentafluoro-

CAS No: 1583-76-2 Catalog No: AG001Q3O MDL No:

Product Description

Catalog Number:

AG001Q3O

Chemical Name:

Benzeneethanamine, 2,3,4,5,6-pentafluoro-

CAS Number:

1583-76-2

Molecular Formula:

C8H6F5N

Molecular Weight:

211.1320

IUPAC Name:

2-(2,3,4,5,6-pentafluorophenyl)ethanamine

InChI:

InChI=1S/C8H6F5N/c9-4-3(1-2-14)5(10)7(12)8(13)6(4)11/h1-2,14H2

InChI Key:

ZUMQWHFKAXDURB-UHFFFAOYSA-N

SMILES:

NCCc1c(F)c(F)c(c(c1F)F)F

Properties

Complexity:

175

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.135g/mol

Monoisotopic Mass:

211.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Metabolic activation of a pentafluorophenylethylamine derivative: formation of glutathione conjugates in vitro in the rat.	Xenobiotica; the fate of foreign compounds in biological systems 20050701
Intercalated organic-inorganic perovskites stabilized by fluoroaryl-aryl interactions.	Inorganic chemistry 20020422