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Home Nitriles 4-Acetamidobenzonitrile

4-Acetamidobenzonitrile

CAS No.:
35704-19-9
Catalog Number:
AG00BXBL
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$32
- +
25g
95%
In Stock USA
United States
$157
- +
Product Description
Catalog Number:
AG00BXBL
Chemical Name:
4-Acetamidobenzonitrile
CAS Number:
35704-19-9
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD00001814
IUPAC Name:
N-(4-cyanophenyl)acetamide
InChI:
InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)
InChI Key:
UFKRTEWFEYWIHD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)NC(=O)C
EC Number:
252-685-2
NSC Number:
88010
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Highly efficient synthesis of quinoxalinone-N-oxide via tandem nitrosation/aerobic oxidative C-N bond formation. Organic letters 20111202
A concise and versatile synthesis of viridicatin alkaloids from cyanoacetanilides. Organic letters 20090402
Properties