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Home > Bromides > 1404367-17-4
1404367-17-4 | Isoquinoline, 4-bromo-8-fluoro-
CAS No: 1404367-17-4 Catalog No: AG001CF9 MDL No:MFCD22690396
Product Description
Catalog Number:
AG001CF9
Chemical Name:
Isoquinoline, 4-bromo-8-fluoro-
CAS Number:
1404367-17-4
Molecular Formula:
C9H5BrFN
Molecular Weight:
226.0451
MDL Number:
MFCD22690396
IUPAC Name:
4-bromo-8-fluoroisoquinoline
InChI:
InChI=1S/C9H5BrFN/c10-8-5-12-4-7-6(8)2-1-3-9(7)11/h1-5H
InChI Key:
UHILZFOAYBIJLR-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1cncc2Br
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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