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891785-30-1 | 6-Bromo-3-fluoroisoquinoline
CAS No: 891785-30-1 Catalog No: AG003WL3 MDL No:MFCD21603999
Product Description
Catalog Number:
AG003WL3
Chemical Name:
6-Bromo-3-fluoroisoquinoline
CAS Number:
891785-30-1
Molecular Formula:
C9H5BrFN
Molecular Weight:
226.0451
MDL Number:
MFCD21603999
IUPAC Name:
6-bromo-3-fluoroisoquinoline
InChI:
InChI=1S/C9H5BrFN/c10-8-2-1-6-5-12-9(11)4-7(6)3-8/h1-5H
InChI Key:
WOIZAXDBPZEAHP-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc(nc2)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:
3.2
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