Home Nitriles 6-Chloro-2-fluoro-3-methoxybenzonitrile

6-Chloro-2-fluoro-3-methoxybenzonitrile

CAS No.:
1017777-72-8
Catalog Number:
AG0090CZ
Molecular Formula:
C8H5ClFNO
Molecular Weight:
185.5828
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$69
- +
5g
97%
In Stock USA
United States
$225
- +
10g
97%
In Stock USA
United States
$419
- +
25g
97%
In Stock USA
United States
$975
- +
Product Description
Catalog Number:
AG0090CZ
Chemical Name:
6-Chloro-2-fluoro-3-methoxybenzonitrile
CAS Number:
1017777-72-8
Molecular Formula:
C8H5ClFNO
Molecular Weight:
185.5828
MDL Number:
MFCD09832269
IUPAC Name:
6-chloro-2-fluoro-3-methoxybenzonitrile
InChI:
InChI=1S/C8H5ClFNO/c1-12-7-3-2-6(9)5(4-11)8(7)10/h2-3H,1H3
InChI Key:
MRGPSVJVQWPCNB-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1F)C#N)Cl
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.582g/mol
Monoisotopic Mass:
185.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties