Home Nitriles 2-Methoxy-5-(trifluoromethoxy)benzonitrile

2-Methoxy-5-(trifluoromethoxy)benzonitrile

CAS No.:
886500-03-4
Catalog Number:
AG003HJ3
Molecular Formula:
C9H6F3NO2
Molecular Weight:
217.1446
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$63
- +
5g
97%
In Stock USA
United States
$163
- +
25g
97%
In Stock USA
United States
$644
- +
Product Description
Catalog Number:
AG003HJ3
Chemical Name:
2-Methoxy-5-(trifluoromethoxy)benzonitrile
CAS Number:
886500-03-4
Molecular Formula:
C9H6F3NO2
Molecular Weight:
217.1446
MDL Number:
MFCD04115963
IUPAC Name:
2-methoxy-5-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C9H6F3NO2/c1-14-8-3-2-7(4-6(8)5-13)15-9(10,11)12/h2-4H,1H3
InChI Key:
FJFWRXJVLWLALW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1OC)OC(F)(F)F
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.147g/mol
Monoisotopic Mass:
217.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties