CAS 398-23-2 | 4,4'-Difluoro-1,1'-biphenyl | CAS Number 398-23-2

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398-23-2 | 4,4'-Difluoro-1,1'-biphenyl

CAS No: 398-23-2 Catalog No: AG0033UQ MDL No:MFCD00000349

Product Description

Catalog Number:

AG0033UQ

Chemical Name:

4,4'-Difluoro-1,1'-biphenyl

CAS Number:

398-23-2

Molecular Formula:

C12H8F2

Molecular Weight:

190.1887

MDL Number:

MFCD00000349

IUPAC Name:

1-fluoro-4-(4-fluorophenyl)benzene

InChI:

InChI=1S/C12H8F2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

InChI Key:

PZDAAZQDQJGXSW-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)c1ccc(cc1)F

EC Number:

206-910-6

UNII:

O0694GMK81

NSC Number:

4173

Properties

Complexity:

145

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

190.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

190.193g/mol

Monoisotopic Mass:

190.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5

Literature

Title	Journal
Biodegradation of polyfluorinated biphenyl in bacteria.	Biodegradation 20110701
Biotransformation of fluorobiphenyl by Cunninghamella elegans.	Applied microbiology and biotechnology 20100301
Identifying reactive intermediates in the Ullmann coupling reaction by scanning tunneling microscopy and spectroscopy.	The journal of physical chemistry. A 20091126