Home Nitriles 2-Methyl-5-(trifluoromethyl)benzonitrile

2-Methyl-5-(trifluoromethyl)benzonitrile

CAS No.:
261952-03-8
Catalog Number:
AG002S7E
Molecular Formula:
C9H6F3N
Molecular Weight:
185.1458
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$63
- +
5g
96%
In Stock USA
United States
$200
- +
25g
96%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG002S7E
Chemical Name:
2-Methyl-5-(trifluoromethyl)benzonitrile
CAS Number:
261952-03-8
Molecular Formula:
C9H6F3N
Molecular Weight:
185.1458
MDL Number:
MFCD01631594
IUPAC Name:
2-methyl-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H6F3N/c1-6-2-3-8(9(10,11)12)4-7(6)5-13/h2-4H,1H3
InChI Key:
NKYUMNAHEJWIND-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C)C(F)(F)F
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.149g/mol
Monoisotopic Mass:
185.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties