Home Halogens 2-(4-amino-3-chlorophenyl)acetonitrile

2-(4-amino-3-chlorophenyl)acetonitrile

CAS No.:
80199-02-6
Catalog Number:
AG01BCHZ
Molecular Formula:
C8H7ClN2
Molecular Weight:
166.6076
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Product Description
Catalog Number:
AG01BCHZ
Chemical Name:
2-(4-amino-3-chlorophenyl)acetonitrile
CAS Number:
80199-02-6
Molecular Formula:
C8H7ClN2
Molecular Weight:
166.6076
MDL Number:
MFCD18389516
IUPAC Name:
2-(4-amino-3-chlorophenyl)acetonitrile
InChI:
InChI=1S/C8H7ClN2/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5H,3,11H2
InChI Key:
UJOMOYNESLBIEW-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)Cl)N
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.03g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.608g/mol
Monoisotopic Mass:
166.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties