Home Nitriles 2,5-Difluoro-4-methoxybenzonitrile

2,5-Difluoro-4-methoxybenzonitrile

CAS No.:
1007605-44-8
Catalog Number:
AG0002U4
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$32
- +
5g
97%
In Stock USA
United States
$88
- +
25g
97%
In Stock USA
United States
$350
- +
100g
97%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG0002U4
Chemical Name:
2,5-Difluoro-4-methoxybenzonitrile
CAS Number:
1007605-44-8
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
MDL Number:
MFCD06246886
IUPAC Name:
2,5-difluoro-4-methoxybenzonitrile
InChI:
InChI=1S/C8H5F2NO/c1-12-8-3-6(9)5(4-11)2-7(8)10/h2-3H,1H3
InChI Key:
WQQDILMHKBTFNR-UHFFFAOYSA-N
SMILES:
COc1cc(F)c(cc1F)C#N
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.034g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.131g/mol
Monoisotopic Mass:
169.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties