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Home Other Building Blocks 1-Bromo-3-fluorobenzene

1-Bromo-3-fluorobenzene

CAS No.:
1073-06-9
Catalog Number:
AG0032PO
Molecular Formula:
C6H4BrF
Molecular Weight:
174.9984
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$17
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG0032PO
Chemical Name:
1-Bromo-3-fluorobenzene
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.948g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175g/mol
Monoisotopic Mass:
173.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties