Home Halogens 3,4-Dichlorophenylacetonitrile

3,4-Dichlorophenylacetonitrile

CAS No.:
3218-49-3
Catalog Number:
AG003IGG
Molecular Formula:
C8H5Cl2N
Molecular Weight:
186.0380
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$100
- +
500g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG003IGG
Chemical Name:
3,4-Dichlorophenylacetonitrile
CAS Number:
3218-49-3
Molecular Formula:
C8H5Cl2N
Molecular Weight:
186.0380
MDL Number:
MFCD00001909
IUPAC Name:
2-(3,4-dichlorophenyl)acetonitrile
InChI:
InChI=1S/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChI Key:
QWZNCAFWRZZJMA-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)Cl)Cl
EC Number:
221-743-9
NSC Number:
111725
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.98g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.035g/mol
Monoisotopic Mass:
184.98g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties