Home Carboxes 100960-68-7
100960-68-7,MFCD09865166
Catalog No.:AA00038P
100960-68-7 | 4-Chloro-2-methoxybenzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$100.00   $70.00
- +
5g
97%
in stock  
$279.00   $195.00
- +
25g
97%
in stock  
$1,270.00   $889.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00038P
Chemical Name:
4-Chloro-2-methoxybenzonitrile
CAS Number:
100960-68-7
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD09865166
IUPAC Name:
4-chloro-2-methoxybenzonitrile
InChI:
InChI=1S/C8H6ClNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,1H3
InChI Key:
RMEKKIFVJZOQEG-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)ccc1C#N
Properties
Computed 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:
3.1  

Synonyms
 
4-CHLORO-2-METHOXYBENZONITRILE 
100960-68-7 
ANW-14404 
MFCD09865166 
ZINC45028126 
AKOS005147202 
AM90004 
MCULE-2599955763 
AS-33149 
CJ-20507 
SC-32717 
AJ-110244 
Benzonitrile, 4-chloro-2-methoxy- 
TC-103149 
FT-0732698 
B-6242 
Z1425858550 
C8H6ClNO 
ACMC-2097ti 
SCHEMBL4857820 
4-Chloro-2-methoxy-benzonitrile 
CTK8A8989 
DTXSID70639967 
RMEKKIFVJZOQEG-UHFFFAOYSA-N 
0308AA 
Literature
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