CAS 1073-06-9 | 3-Bromofluorobenzene | CAS Number 1073-06-9

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1073-06-9 | 3-Bromofluorobenzene

CAS No: 1073-06-9 Catalog No: AG0032PO MDL No:MFCD00000326

Product Description

Catalog Number:

AG0032PO

Chemical Name:

3-Bromofluorobenzene

CAS Number:

1073-06-9

Molecular Formula:

C6H4BrF

Molecular Weight:

174.9984

MDL Number:

MFCD00000326

IUPAC Name:

1-bromo-3-fluorobenzene

InChI:

InChI=1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H

InChI Key:

QDFKKJYEIFBEFC-UHFFFAOYSA-N

SMILES:

Fc1cccc(c1)Br

EC Number:

214-023-0

NSC Number:

10267

Properties

Complexity:

74.9

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

173.948g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

175g/mol

Monoisotopic Mass:

173.948g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
On the mechanism of the palladium-catalyzed β-arylation of ester enolates.	Chemistry (Weinheim an der Bergstrasse, Germany) 20120213
FT-IR and FT-Raman, UV spectroscopic investigation of 1-bromo-3-fluorobenzene using DFT (B3LYP, B3PW91 and MPW91PW91) calculations.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111101
(RS)-(2-Bromo-4-fluoro-anilino)[2-(4,6-dimethoxy-pyrimidin-2-yl-oxy)phen-yl]acetonitrile.	Acta crystallographica. Section E, Structure reports online 20090901
Experimental and theoretical study of the photodissociation of bromo-3-fluorobenzene.	The Journal of chemical physics 20080121