Home Nitriles 3-Methoxy-5-(trifluoromethyl)benzonitrile

3-Methoxy-5-(trifluoromethyl)benzonitrile

CAS No.:
868167-61-7
Catalog Number:
AG00GWPS
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$143
- +
10g
98%
In Stock USA
United States
$257
- +
25g
98%
In Stock USA
United States
$490
- +
100g
98%
In Stock USA
United States
$1164
- +
Product Description
Catalog Number:
AG00GWPS
Chemical Name:
3-Methoxy-5-(trifluoromethyl)benzonitrile
CAS Number:
868167-61-7
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD08458145
IUPAC Name:
3-methoxy-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H6F3NO/c1-14-8-3-6(5-13)2-7(4-8)9(10,11)12/h2-4H,1H3
InChI Key:
DSMSXBUFGYTQPM-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)cc(c1)C(F)(F)F
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