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1017047-71-0 | 6-chloro-N-(prop-2-yn-1-yl)pyridine-3-carboxamide
CAS No: 1017047-71-0 Catalog No: AG019VBS MDL No:MFCD09944097
Product Description
Catalog Number:
AG019VBS
Chemical Name:
6-chloro-N-(prop-2-yn-1-yl)pyridine-3-carboxamide
CAS Number:
1017047-71-0
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
MDL Number:
MFCD09944097
IUPAC Name:
6-chloro-N-prop-2-ynylpyridine-3-carboxamide
InChI:
InChI=1S/C9H7ClN2O/c1-2-5-11-9(13)7-3-4-8(10)12-6-7/h1,3-4,6H,5H2,(H,11,13)
InChI Key:
OHMQLPULHGQFHQ-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)c1ccc(nc1)Cl
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.618g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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