Home Nitriles 2-(4-Chlorophenyl)-3-oxopropanenitrile

2-(4-Chlorophenyl)-3-oxopropanenitrile

CAS No.:
62538-21-0
Catalog Number:
AG0038L0
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$148
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Product Description
Catalog Number:
AG0038L0
Chemical Name:
2-(4-Chlorophenyl)-3-oxopropanenitrile
CAS Number:
62538-21-0
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD00052669
IUPAC Name:
2-(4-chlorophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H6ClNO/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,6,8H
InChI Key:
DAEXXSXAEMFPHQ-UHFFFAOYSA-N
SMILES:
O=CC(c1ccc(cc1)Cl)C#N
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.014g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.603g/mol
Monoisotopic Mass:
179.014g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties