Home Halogens 4-Amino-2-chloro-5-methoxybenzonitrile

4-Amino-2-chloro-5-methoxybenzonitrile

CAS No.:
1613730-68-9
Catalog Number:
AG01DTM7
Molecular Formula:
C8H7ClN2O
Molecular Weight:
182.6070
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$137
- +
250mg
95%
In Stock USA
United States
$246
- +
Product Description
Catalog Number:
AG01DTM7
Chemical Name:
4-Amino-2-chloro-5-methoxybenzonitrile
CAS Number:
1613730-68-9
Molecular Formula:
C8H7ClN2O
Molecular Weight:
182.6070
MDL Number:
MFCD31801691
IUPAC Name:
4-amino-2-chloro-5-methoxybenzonitrile
InChI:
InChI=1S/C8H7ClN2O/c1-12-8-2-5(4-10)6(9)3-7(8)11/h2-3H,11H2,1H3
InChI Key:
GKMMNRLLGCWRTM-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)c(cc1N)Cl
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.607g/mol
Monoisotopic Mass:
182.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties