Home Halogens 2-Amino-5-chlorobenzonitrile

2-Amino-5-chlorobenzonitrile

CAS No.:
5922-60-1
Catalog Number:
AG00IAIY
Molecular Formula:
C7H5ClN2
Molecular Weight:
152.5810
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG00IAIY
Chemical Name:
2-Amino-5-chlorobenzonitrile
CAS Number:
5922-60-1
Molecular Formula:
C7H5ClN2
Molecular Weight:
152.5810
MDL Number:
MFCD00017106
IUPAC Name:
2-amino-5-chlorobenzonitrile
InChI:
InChI=1S/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
InChI Key:
QYRDWARBHMCOAG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)ccc1N
EC Number:
227-651-5
UNII:
GY0X0082QB
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.014g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.581g/mol
Monoisotopic Mass:
152.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Density functional theory study of Fourier transform infrared and Raman spectra of 2-amino-5-chloro benzonitrile. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081115
Properties