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

5-Methyl-2-(trifluoromethyl)benzonitrile

CAS No.:
886502-61-0
Catalog Number:
AG003MUY
Molecular Formula:
C9H6F3N
Molecular Weight:
185.1458
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$205
- +
1g
95%
1 week
United States
$350
- +
Product Description
Catalog Number:
AG003MUY
Chemical Name:
5-Methyl-2-(trifluoromethyl)benzonitrile
CAS Number:
886502-61-0
Molecular Formula:
C9H6F3N
Molecular Weight:
185.1458
MDL Number:
MFCD06660290
IUPAC Name:
5-methyl-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H6F3N/c1-6-2-3-8(9(10,11)12)7(4-6)5-13/h2-4H,1H3
InChI Key:
WLMSAHJSXOSVNE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)ccc1C(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