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1134614-73-5 | 3-Pyridinecarbonitrile, 2-chloro-6-ethynyl-5-fluoro-
CAS No: 1134614-73-5 Catalog No: AG0008NT MDL No:
Product Description
Catalog Number:
AG0008NT
Chemical Name:
3-Pyridinecarbonitrile, 2-chloro-6-ethynyl-5-fluoro-
CAS Number:
1134614-73-5
Molecular Formula:
C8H2ClFN2
Molecular Weight:
180.5663
IUPAC Name:
2-chloro-6-ethynyl-5-fluoropyridine-3-carbonitrile
InChI:
InChI=1S/C8H2ClFN2/c1-2-7-6(10)3-5(4-11)8(9)12-7/h1,3H
InChI Key:
OVCROCCLJHGBCY-UHFFFAOYSA-N
SMILES:
C#Cc1nc(Cl)c(cc1F)C#N
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.989g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.566g/mol
Monoisotopic Mass:
179.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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