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Home > Bromides > 1258833-80-5
1258833-80-5 | 6-bromo-7-fluoroisoquinoline
CAS No: 1258833-80-5 Catalog No: AG000OX2 MDL No:MFCD28166295
Product Description
Catalog Number:
AG000OX2
Chemical Name:
6-bromo-7-fluoroisoquinoline
CAS Number:
1258833-80-5
Molecular Formula:
C9H5BrFN
Molecular Weight:
226.0451
MDL Number:
MFCD28166295
IUPAC Name:
6-bromo-7-fluoroisoquinoline
InChI:
InChI=1S/C9H5BrFN/c10-8-3-6-1-2-12-5-7(6)4-9(8)11/h1-5H
InChI Key:
SEHPXAKLMRODLS-UHFFFAOYSA-N
SMILES:
Brc1cc2ccncc2cc1F
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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