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142028-15-7 | 3(2H)-Pyridazinone, 6-(4-chloro-3-fluorophenyl)-2-(2-pentyn-1-yl)-
CAS No: 142028-15-7 Catalog No: AG001HL5 MDL No:
Product Description
Catalog Number:
AG001HL5
Chemical Name:
3(2H)-Pyridazinone, 6-(4-chloro-3-fluorophenyl)-2-(2-pentyn-1-yl)-
CAS Number:
142028-15-7
Molecular Formula:
C15H12ClFN2O
Molecular Weight:
290.7200
IUPAC Name:
6-(4-chloro-3-fluorophenyl)-2-pent-2-ynylpyridazin-3-one
InChI:
InChI=1S/C15H12ClFN2O/c1-2-3-4-9-19-15(20)8-7-14(18-19)11-5-6-12(16)13(17)10-11/h5-8,10H,2,9H2,1H3
InChI Key:
QHQUVUGNAAKMLH-UHFFFAOYSA-N
SMILES:
CCC#CCn1nc(ccc1=O)c1ccc(c(c1)F)Cl
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.722g/mol
Monoisotopic Mass:
290.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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