Home Nitriles 4-Methoxy-3-(trifluoromethyl)benzonitrile

4-Methoxy-3-(trifluoromethyl)benzonitrile

CAS No.:
261951-87-5
Catalog Number:
AG002S6E
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%(GC)
In Stock USA
United States
$55
- +
5g
99%(GC)
In Stock USA
United States
$168
- +
25g
99%(GC)
In Stock USA
United States
$614
- +
Product Description
Catalog Number:
AG002S6E
Chemical Name:
4-Methoxy-3-(trifluoromethyl)benzonitrile
CAS Number:
261951-87-5
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD01631575
IUPAC Name:
4-methoxy-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H6F3NO/c1-14-8-3-2-6(5-13)4-7(8)9(10,11)12/h2-4H,1H3
InChI Key:
FLHQJZPLFRIGOT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(F)(F)F)C#N
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties