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141920-17-4 | 4-tert-butylpyridine-2,6-dicarbonitrile
CAS No: 141920-17-4 Catalog No: AG01EJRP MDL No:MFCD28123826
Product Description
Catalog Number:
AG01EJRP
Chemical Name:
4-tert-butylpyridine-2,6-dicarbonitrile
CAS Number:
141920-17-4
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
MDL Number:
MFCD28123826
IUPAC Name:
4-tert-butylpyridine-2,6-dicarbonitrile
InChI:
InChI=1S/C11H11N3/c1-11(2,3)8-4-9(6-12)14-10(5-8)7-13/h4-5H,1-3H3
InChI Key:
ORAHYPJJQPOIHL-UHFFFAOYSA-N
SMILES:
N#Cc1nc(C#N)cc(c1)C(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.23g/mol
Monoisotopic Mass:
185.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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