Home Nitriles 5-Acetyl-2-aminobenzonitrile

5-Acetyl-2-aminobenzonitrile

CAS No.:
33720-71-7
Catalog Number:
AG00382W
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$392
- +
Product Description
Catalog Number:
AG00382W
Chemical Name:
5-Acetyl-2-aminobenzonitrile
CAS Number:
33720-71-7
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD18379155
IUPAC Name:
5-acetyl-2-aminobenzonitrile
InChI:
InChI=1S/C9H8N2O/c1-6(12)7-2-3-9(11)8(4-7)5-10/h2-4H,11H2,1H3
InChI Key:
SJXQSPLLUXAJQJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N)C(=O)C
Properties
Complexity:
228  
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:
3  
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:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties