Home Nitriles (5-Chloro-2-methoxyphenyl)acetonitrile

(5-Chloro-2-methoxyphenyl)acetonitrile

CAS No.:
7048-38-6
Catalog Number:
AG005IK8
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$424
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Product Description
Catalog Number:
AG005IK8
Chemical Name:
(5-Chloro-2-methoxyphenyl)acetonitrile
CAS Number:
7048-38-6
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
MDL Number:
MFCD07348599
IUPAC Name:
2-(5-chloro-2-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H8ClNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4H2,1H3
InChI Key:
YVPGMOIUQBMWLU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CC#N)Cl
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.619g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties