Home Nitriles 2-Chloro-5-methoxybenzonitrile

2-Chloro-5-methoxybenzonitrile

CAS No.:
127667-00-9
Catalog Number:
AG000X9E
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$50
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Product Description
Catalog Number:
AG000X9E
Chemical Name:
2-Chloro-5-methoxybenzonitrile
CAS Number:
127667-00-9
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD08061919
IUPAC Name:
2-chloro-5-methoxybenzonitrile
InChI:
InChI=1S/C8H6ClNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,1H3
InChI Key:
XRFLIOTUXVHNIB-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C#N)Cl
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.014g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.592g/mol
Monoisotopic Mass:
167.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties