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Home Halogens 2-Amino-4-chlorobenzonitrile

2-Amino-4-chlorobenzonitrile

CAS No.:
38487-86-4
Catalog Number:
AG0079P3
Molecular Formula:
C7H5ClN2
Molecular Weight:
152.5810
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$30
- +
25g
95%
In Stock USA
United States
$82
- +
100g
95%
In Stock USA
United States
$244
- +
Product Description
Catalog Number:
AG0079P3
Chemical Name:
2-Amino-4-chlorobenzonitrile
CAS Number:
38487-86-4
Molecular Formula:
C7H5ClN2
Molecular Weight:
152.5810
MDL Number:
MFCD00035927
IUPAC Name:
2-amino-4-chlorobenzonitrile
InChI:
InChI=1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
InChI Key:
UZHALXIAWJOLLR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1N)Cl
EC Number:
253-967-8
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
Huprines as a new family of dual acting trypanocidal-antiplasmodial agents. Bioorganic & medicinal chemistry 20110301
8-Chloro-5,5-dimethyl-5,6-dihydro-tetra-zolo[1,5-c]quinazoline. Acta crystallographica. Section E, Structure reports online 20101201
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties