CAS 771-56-2 | 2,3,4,5,6-Pentafluorotoluene, 99% | CAS Number 771-56-2

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771-56-2 | 2,3,4,5,6-Pentafluorotoluene, 99%

CAS No: 771-56-2 Catalog No: AG003FD9 MDL No:MFCD00000298

Product Description

Catalog Number:

AG003FD9

Chemical Name:

2,3,4,5,6-Pentafluorotoluene, 99%

CAS Number:

771-56-2

Molecular Formula:

C7H3F5

Molecular Weight:

182.0907

MDL Number:

MFCD00000298

IUPAC Name:

1,2,3,4,5-pentafluoro-6-methylbenzene

InChI:

InChI=1S/C7H3F5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3

InChI Key:

SXPRVMIZFRCAGC-UHFFFAOYSA-N

SMILES:

Fc1c(C)c(F)c(c(c1F)F)F

EC Number:

212-233-7

UNII:

YZ42CXN177

NSC Number:

88285

Properties

Complexity:

146

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.093g/mol

Monoisotopic Mass:

182.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
11-Oxoeicosatetraenoic acid is a cyclooxygenase-2/15-hydroxyprostaglandin dehydrogenase-derived antiproliferative eicosanoid.	Chemical research in toxicology 20111219
Electron predators are hydrogen atom traps. Effects of aryl groups on N-C(α) bond dissociations of peptide radicals.	Journal of mass spectrometry : JMS 20101101
Quasielastic and inelastic neutron scattering study of methyl group rotation in solid and liquid pentafluoroanisole and pentafluorotoluene.	The Journal of chemical physics 20080521