Home Halogens 2-chloro-4-(ethylamino)benzonitrile

2-chloro-4-(ethylamino)benzonitrile

CAS No.:
1097793-74-2
Catalog Number:
AG01A2ES
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
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Product Description
Catalog Number:
AG01A2ES
Chemical Name:
2-chloro-4-(ethylamino)benzonitrile
CAS Number:
1097793-74-2
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
MDL Number:
MFCD11644849
IUPAC Name:
2-chloro-4-(ethylamino)benzonitrile
InChI:
InChI=1S/C9H9ClN2/c1-2-12-8-4-3-7(6-11)9(10)5-8/h3-5,12H,2H2,1H3
InChI Key:
IYQMYDLOWGUZCM-UHFFFAOYSA-N
SMILES:
CCNc1ccc(c(c1)Cl)C#N
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.045g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.635g/mol
Monoisotopic Mass:
180.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties