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

4-Methyl-3-(trifluoromethyl)benzonitrile

CAS No.:
261952-06-1
Catalog Number:
AG002S7B
Molecular Formula:
C9H6F3N
Molecular Weight:
185.1458
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$50
- +
25g
98%
In Stock USA
United States
$188
- +
100g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG002S7B
Chemical Name:
4-Methyl-3-(trifluoromethyl)benzonitrile
CAS Number:
261952-06-1
Molecular Formula:
C9H6F3N
Molecular Weight:
185.1458
MDL Number:
MFCD01631597
IUPAC Name:
4-methyl-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H6F3N/c1-6-2-3-7(5-13)4-8(6)9(10,11)12/h2-4H,1H3
InChI Key:
YWAGJCPTOFPGIS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(F)(F)F)C
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