Home Nitriles 3-(4-Fluorophenyl)benzonitrile

3-(4-Fluorophenyl)benzonitrile

CAS No.:
10540-33-7
Catalog Number:
AG0084ZZ
Molecular Formula:
C13H8FN
Molecular Weight:
197.2077
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG0084ZZ
Chemical Name:
3-(4-Fluorophenyl)benzonitrile
CAS Number:
10540-33-7
Molecular Formula:
C13H8FN
Molecular Weight:
197.2077
MDL Number:
MFCD05979962
IUPAC Name:
3-(4-fluorophenyl)benzonitrile
InChI:
InChI=1S/C13H8FN/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-8H
InChI Key:
ZDNUQACWNIURTE-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccc(cc1)F
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.064g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.212g/mol
Monoisotopic Mass:
197.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties