CAS 402-44-8 | 1-Fluoro-4-(trifluoromethyl)benzene | CAS Number 402-44-8

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402-44-8 | 1-Fluoro-4-(trifluoromethyl)benzene

CAS No: 402-44-8 Catalog No: AG003LF4 MDL No:MFCD00000399

Product Description

Catalog Number:

AG003LF4

Chemical Name:

1-Fluoro-4-(trifluoromethyl)benzene

CAS Number:

402-44-8

Molecular Formula:

C7H4F4

Molecular Weight:

164.1003

MDL Number:

MFCD00000399

IUPAC Name:

1-fluoro-4-(trifluoromethyl)benzene

InChI:

InChI=1S/C7H4F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

InChI Key:

UNNNAIWPDLRVRN-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)C(F)(F)F

EC Number:

206-944-1

NSC Number:

88289

Properties

Complexity:

121

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

164.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

164.103g/mol

Monoisotopic Mass:

164.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Synthesis of novel trifluoromethyl-bearing bifunctional acyl-acceptant arenes: 2,2'-bis(trifluoromethylated aryloxy)biphenyls.	Journal of oleo science 20070101
Utilizing capillary gas chromatography mass spectrometry to determine 4-benzotrifluoride t-butyl ether as a reaction by-product in fluoxetine synthesized using potassium t-butoxide as base.	Journal of pharmaceutical and biomedical analysis 20030205