Home Halogens 2,6-Dichlorophenylacetonitrile

2,6-Dichlorophenylacetonitrile

CAS No.:
3215-64-3
Catalog Number:
AG003G3D
Molecular Formula:
C8H5Cl2N
Molecular Weight:
186.0380
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$23
- +
100g
98%
In Stock USA
United States
$69
- +
500g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG003G3D
Chemical Name:
2,6-Dichlorophenylacetonitrile
CAS Number:
3215-64-3
Molecular Formula:
C8H5Cl2N
Molecular Weight:
186.0380
MDL Number:
MFCD00001901
IUPAC Name:
2-(2,6-dichlorophenyl)acetonitrile
InChI:
InChI=1S/C8H5Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
InChI Key:
AOEJUUCUKRUCEF-UHFFFAOYSA-N
SMILES:
N#CCc1c(Cl)cccc1Cl
EC Number:
221-730-8
NSC Number:
72901
Properties
Complexity:
162  
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:
2.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties