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Home Nitriles 4-(Cyanomethyl)benzonitrile

4-(Cyanomethyl)benzonitrile

CAS No.:
876-31-3
Catalog Number:
AG003L9I
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$38
- +
5g
96%
In Stock USA
United States
$134
- +
10g
96%
In Stock USA
United States
$202
- +
25g
96%
In Stock USA
United States
$363
- +
Product Description
Catalog Number:
AG003L9I
Chemical Name:
4-(Cyanomethyl)benzonitrile
CAS Number:
876-31-3
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
MDL Number:
MFCD00060305
IUPAC Name:
4-(cyanomethyl)benzonitrile
InChI:
InChI=1S/C9H6N2/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4H,5H2
InChI Key:
QILKKAFYAFEWGU-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)C#N
NSC Number:
97215
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.161g/mol
Monoisotopic Mass:
142.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
3-Hydroxypyrrolo[2,3-b]pyridine and related compounds - indoxyl analogues with fused electron deficient rings. Organic & biomolecular chemistry 20101121
Nucleophilicities of the anions of arylacetonitriles and arylpropionitriles in dimethyl sulfoxide. The Journal of organic chemistry 20090102
Properties