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1365889-99-1 | 1H-Indazole, 5-(2-cyclobutylethynyl)-3-fluoro-1-(tetrahydro-2H-pyran-2-yl)-
CAS No: 1365889-99-1 Catalog No: AG00123H MDL No:
Product Description
Catalog Number:
AG00123H
Chemical Name:
1H-Indazole, 5-(2-cyclobutylethynyl)-3-fluoro-1-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
1365889-99-1
Molecular Formula:
C18H19FN2O
Molecular Weight:
298.3547
IUPAC Name:
5-(2-cyclobutylethynyl)-3-fluoro-1-(oxan-2-yl)indazole
InChI:
InChI=1S/C18H19FN2O/c19-18-15-12-14(8-7-13-4-3-5-13)9-10-16(15)21(20-18)17-6-1-2-11-22-17/h9-10,12-13,17H,1-6,11H2
InChI Key:
OMMCXFAXAPVZLK-UHFFFAOYSA-N
SMILES:
Fc1nn(c2c1cc(C#CC1CCC1)cc2)C1CCCCO1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.361g/mol
Monoisotopic Mass:
298.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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