Home Halogens 2-(4-amino-3,5-dichlorophenyl)acetonitrile

2-(4-amino-3,5-dichlorophenyl)acetonitrile

CAS No.:
109421-34-3
Catalog Number:
AG01C3IY
Molecular Formula:
C8H6Cl2N2
Molecular Weight:
201.0526
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Product Description
Catalog Number:
AG01C3IY
Chemical Name:
2-(4-amino-3,5-dichlorophenyl)acetonitrile
CAS Number:
109421-34-3
Molecular Formula:
C8H6Cl2N2
Molecular Weight:
201.0526
MDL Number:
MFCD09991819
IUPAC Name:
2-(4-amino-3,5-dichlorophenyl)acetonitrile
InChI:
InChI=1S/C8H6Cl2N2/c9-6-3-5(1-2-11)4-7(10)8(6)12/h3-4H,1,12H2
InChI Key:
VWGWNXCEKOBATM-UHFFFAOYSA-N
SMILES:
N#CCc1cc(Cl)c(c(c1)Cl)N
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.991g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.05g/mol
Monoisotopic Mass:
199.991g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties