Home Halogens 1H-Indazole, 6-bromo-5-fluoro-1-(tetrahydro-2H-pyran-2-yl)-

1H-Indazole, 6-bromo-5-fluoro-1-(tetrahydro-2H-pyran-2-yl)-

CAS No.:
1286734-76-6
Catalog Number:
AG000YAG
Molecular Formula:
C12H12BrFN2O
Molecular Weight:
299.1389
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Product Description
Catalog Number:
AG000YAG
Chemical Name:
1H-Indazole, 6-bromo-5-fluoro-1-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
1286734-76-6
Molecular Formula:
C12H12BrFN2O
Molecular Weight:
299.1389
MDL Number:
MFCD18384869
IUPAC Name:
6-bromo-5-fluoro-1-(oxan-2-yl)indazole
InChI:
InChI=1S/C12H12BrFN2O/c13-9-6-11-8(5-10(9)14)7-15-16(11)12-3-1-2-4-17-12/h5-7,12H,1-4H2
InChI Key:
AALBWOZBUDEMEV-UHFFFAOYSA-N
SMILES:
Fc1cc2cnn(c2cc1Br)C1CCCCO1
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:
3.1  
Properties