Home Nitriles 2-Bromo-3-fluorobenzonitrile

2-Bromo-3-fluorobenzonitrile

CAS No.:
425379-16-4
Catalog Number:
AG003GMT
Molecular Formula:
C7H3BrFN
Molecular Weight:
200.0078
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$30
- +
5g
98%
In Stock USA
United States
$113
- +
10g
95%
In Stock USA
United States
$190
- +
25g
98%
In Stock USA
United States
$394
- +
Product Description
Catalog Number:
AG003GMT
Chemical Name:
2-Bromo-3-fluorobenzonitrile
CAS Number:
425379-16-4
Molecular Formula:
C7H3BrFN
Molecular Weight:
200.0078
MDL Number:
MFCD07368773
IUPAC Name:
2-bromo-3-fluorobenzonitrile
InChI:
InChI=1S/C7H3BrFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H
InChI Key:
DBECKESJFGWYFN-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1Br)F
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.943g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.01g/mol
Monoisotopic Mass:
198.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Facile synthesis of 2-bromo-3-fluorobenzonitrile: an application and study of the halodeboronation of aryl boronic acids. The Journal of organic chemistry 20040123
Properties