Home Nitriles 2-(3-Chloro-5-(trifluoromethyl)phenyl)acetonitrile

2-(3-Chloro-5-(trifluoromethyl)phenyl)acetonitrile

CAS No.:
886496-95-3
Catalog Number:
AG00GY76
Molecular Formula:
C9H5ClF3N
Molecular Weight:
219.5909
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$30
- +
5g
98%
In Stock USA
United States
$100
- +
10g
98%
In Stock USA
United States
$150
- +
25g
98%
In Stock USA
United States
$369
- +
Product Description
Catalog Number:
AG00GY76
Chemical Name:
2-(3-Chloro-5-(trifluoromethyl)phenyl)acetonitrile
CAS Number:
886496-95-3
Molecular Formula:
C9H5ClF3N
Molecular Weight:
219.5909
MDL Number:
MFCD04115850
IUPAC Name:
2-[3-chloro-5-(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H5ClF3N/c10-8-4-6(1-2-14)3-7(5-8)9(11,12)13/h3-5H,1H2
InChI Key:
OGYGRYBLLSUSDE-UHFFFAOYSA-N
SMILES:
N#CCc1cc(Cl)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:
219.006g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.591g/mol
Monoisotopic Mass:
219.006g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties