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Home Nitriles 3-Chlorobenzonitrile

3-Chlorobenzonitrile

CAS No.:
766-84-7
Catalog Number:
AG0033O9
Molecular Formula:
C7H4ClN
Molecular Weight:
137.5664
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
95%
In Stock USA
United States
$32
- +
100g
95%
In Stock USA
United States
$100
- +
500g
95%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG0033O9
Chemical Name:
3-Chlorobenzonitrile
CAS Number:
766-84-7
Molecular Formula:
C7H4ClN
Molecular Weight:
137.5664
MDL Number:
MFCD00001798
IUPAC Name:
3-chlorobenzonitrile
InChI:
InChI=1S/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChI Key:
WBUOVKBZJOIOAE-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)Cl
EC Number:
212-172-6
NSC Number:
59733
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.003g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.566g/mol
Monoisotopic Mass:
137.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Heterologous expression, purification and characterization of nitrilase from Aspergillus niger K10. BMC biotechnology 20110101
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1. Studies in mycology 20080101
Purification and characterization of a nitrilase from Aspergillus niger K10. Applied microbiology and biotechnology 20061201
Synthesis, characterization, and first successful monkey imaging studies of metabotropic glutamate receptor subtype 5 (mGluR5) PET radiotracers. Synapse (New York, N.Y.) 20050615
Properties