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Home > Bromides > 1258833-77-0
1258833-77-0 | Isoquinoline, 6-bromo-8-fluoro-
CAS No: 1258833-77-0 Catalog No: AG000OX3 MDL No:MFCD28125257
Product Description
Catalog Number:
AG000OX3
Chemical Name:
Isoquinoline, 6-bromo-8-fluoro-
CAS Number:
1258833-77-0
Molecular Formula:
C9H5BrFN
Molecular Weight:
226.0451
MDL Number:
MFCD28125257
IUPAC Name:
6-bromo-8-fluoroisoquinoline
InChI:
InChI=1S/C9H5BrFN/c10-7-3-6-1-2-12-5-8(6)9(11)4-7/h1-5H
InChI Key:
ULCYLVITTXFZCK-UHFFFAOYSA-N
SMILES:
Brc1cc2ccncc2c(c1)F
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.048g/mol
Monoisotopic Mass:
224.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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