CAS 463-11-6 | 1-Fluorooctane | CAS Number 463-11-6

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463-11-6 | 1-Fluorooctane

CAS No: 463-11-6 Catalog No: AG003ECC MDL No:MFCD00013582

Product Description

Catalog Number:

AG003ECC

Chemical Name:

1-Fluorooctane

CAS Number:

463-11-6

Molecular Formula:

C8H17F

Molecular Weight:

132.2190

MDL Number:

MFCD00013582

IUPAC Name:

1-fluorooctane

InChI:

InChI=1S/C8H17F/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

InChI Key:

DHIVLKMGKIZOHF-UHFFFAOYSA-N

SMILES:

CCCCCCCCF

EC Number:

207-333-2

NSC Number:

62037

Properties

Complexity:

43.8

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

132.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

132.222g/mol

Monoisotopic Mass:

132.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5

Literature

Title	Journal
Development of analysis of volatile polyfluorinated alkyl substances in indoor air using thermal desorption-gas chromatography-mass spectrometry.	Journal of chromatography. A 20120518
C-F bond-cleavage reactions of fluoroalkanes with magnesium reagents and without metal catalysts.	Organic letters 20090416