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Home > Bromides > 1365889-96-8
1365889-96-8 | 1H-Indazole, 5-bromo-3-fluoro-1-(tetrahydro-2H-pyran-2-yl)-
CAS No: 1365889-96-8 Catalog No: AG00123I MDL No:
Product Description
Catalog Number:
AG00123I
Chemical Name:
1H-Indazole, 5-bromo-3-fluoro-1-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
1365889-96-8
Molecular Formula:
C12H12BrFN2O
Molecular Weight:
299.1389
IUPAC Name:
5-bromo-3-fluoro-1-(oxan-2-yl)indazole
InChI:
InChI=1S/C12H12BrFN2O/c13-8-4-5-10-9(7-8)12(14)15-16(10)11-3-1-2-6-17-11/h4-5,7,11H,1-3,6H2
InChI Key:
GCWXLPSTFDLJSF-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(F)nn2C1CCCCO1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.012g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.143g/mol
Monoisotopic Mass:
298.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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