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Home > Bromides > 1368512-30-4
1368512-30-4 | Isoquinoline, 1-bromo-8-fluoro-
CAS No: 1368512-30-4 Catalog No: AG0012GK MDL No:MFCD21876129
Product Description
Catalog Number:
AG0012GK
Chemical Name:
Isoquinoline, 1-bromo-8-fluoro-
CAS Number:
1368512-30-4
Molecular Formula:
C9H5BrFN
Molecular Weight:
226.0451
MDL Number:
MFCD21876129
IUPAC Name:
1-bromo-8-fluoroisoquinoline
InChI:
InChI=1S/C9H5BrFN/c10-9-8-6(4-5-12-9)2-1-3-7(8)11/h1-5H
InChI Key:
DAPFAORJGTUTKH-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1c(Br)ncc2
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:
3.2
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