CAS 773-82-0 | 2,3,4,5,6-Pentafluorobenzonitrile | CAS Number 773-82-0

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773-82-0 | 2,3,4,5,6-Pentafluorobenzonitrile

CAS No: 773-82-0 Catalog No: AG0035GH MDL No:MFCD00001775

Product Description

Catalog Number:

AG0035GH

Chemical Name:

2,3,4,5,6-Pentafluorobenzonitrile

CAS Number:

773-82-0

Molecular Formula:

C7F5N

Molecular Weight:

193.0736

MDL Number:

MFCD00001775

IUPAC Name:

2,3,4,5,6-pentafluorobenzonitrile

InChI:

InChI=1S/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10

InChI Key:

YXWJGZQOGXGSSC-UHFFFAOYSA-N

SMILES:

N#Cc1c(F)c(F)c(c(c1F)F)F

EC Number:

212-259-9

NSC Number:

88294

Properties

Complexity:

220

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

192.995g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.076g/mol

Monoisotopic Mass:

192.995g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Chemoselectivity diversity in the reaction of LiNC6F5SiMe3 with nitriles and the synthesis, structure, and reactivity of zirconium mono- and tris[2-(2-pyridyl)tetrafluorobenzimidazolate] complexes.	Inorganic chemistry 20101018
Electron capture by pentafluoronitrobenzene and pentafluorobenzonitrile.	Physical chemistry chemical physics : PCCP 20080321
Reactions of (PCP)Ru(CO)(NHPh)(PMe3) (PCP = 2,6-(CH2PtBu2)2C6H3) with substrates that possess polar bonds.	Inorganic chemistry 20050418