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Home > Pyridines > 131418-12-7
131418-12-7 | 2-chloro-N-(prop-2-yn-1-yl)pyridine-4-carboxamide
CAS No: 131418-12-7 Catalog No: AG01BRIF MDL No:MFCD11128668
Product Description
Catalog Number:
AG01BRIF
Chemical Name:
2-chloro-N-(prop-2-yn-1-yl)pyridine-4-carboxamide
CAS Number:
131418-12-7
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
MDL Number:
MFCD11128668
IUPAC Name:
2-chloro-N-prop-2-ynylpyridine-4-carboxamide
InChI:
InChI=1S/C9H7ClN2O/c1-2-4-12-9(13)7-3-5-11-8(10)6-7/h1,3,5-6H,4H2,(H,12,13)
InChI Key:
JLLBOQOLGHGVQD-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)c1ccnc(c1)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
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