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Home > Pyridines > 113969-54-3
113969-54-3 | 4-Pyridinecarboxamide, N-butyl-2-chloro-N-(cyanomethyl)-
CAS No: 113969-54-3 Catalog No: AG000A71 MDL No:
Product Description
Catalog Number:
AG000A71
Chemical Name:
4-Pyridinecarboxamide, N-butyl-2-chloro-N-(cyanomethyl)-
CAS Number:
113969-54-3
Molecular Formula:
C12H14ClN3O
Molecular Weight:
251.7121
IUPAC Name:
N-butyl-2-chloro-N-(cyanomethyl)pyridine-4-carboxamide
InChI:
InChI=1S/C12H14ClN3O/c1-2-3-7-16(8-5-14)12(17)10-4-6-15-11(13)9-10/h4,6,9H,2-3,7-8H2,1H3
InChI Key:
ANKVSALUUHXQHH-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)c1ccnc(c1)Cl)CC#N
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.714g/mol
Monoisotopic Mass:
251.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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