Home Halogens 6-(tert-butyl)-2-chloronicotinonitrile

6-(tert-butyl)-2-chloronicotinonitrile

CAS No.:
4138-20-9
Catalog Number:
AG00CKJX
Molecular Formula:
C10H11ClN2
Molecular Weight:
194.6607
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Product Description
Catalog Number:
AG00CKJX
Chemical Name:
6-(tert-butyl)-2-chloronicotinonitrile
CAS Number:
4138-20-9
Molecular Formula:
C10H11ClN2
Molecular Weight:
194.6607
MDL Number:
MFCD15527597
IUPAC Name:
6-tert-butyl-2-chloropyridine-3-carbonitrile
InChI:
InChI=1S/C10H11ClN2/c1-10(2,3)8-5-4-7(6-12)9(11)13-8/h4-5H,1-3H3
InChI Key:
ZGAPRXSQJGVERK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1Cl)C(C)(C)C
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.061g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.662g/mol
Monoisotopic Mass:
194.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties