Home Nitriles 6-tert-butylnicotinonitrile

6-tert-butylnicotinonitrile

CAS No.:
56029-45-9
Catalog Number:
AG00DKAD
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00DKAD
Chemical Name:
6-tert-butylnicotinonitrile
CAS Number:
56029-45-9
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
MDL Number:
MFCD11845758
IUPAC Name:
6-tert-butylpyridine-3-carbonitrile
InChI:
InChI=1S/C10H12N2/c1-10(2,3)9-5-4-8(6-11)7-12-9/h4-5,7H,1-3H3
InChI Key:
JHHURKBLEGFPPB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)C(C)(C)C
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties