AG000OX3

1258833-77-0 | Isoquinoline, 6-bromo-8-fluoro-

AG000OX3

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CAS Number	1258833-77-0
Catalog Number	AG000OX3(AGN-PC-0WNOCI)
Chemical Name	Isoquinoline, 6-bromo-8-fluoro-
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
MDL Number	MFCD28125257
Molecular Formula	C9H5BrFN
Molecular Weight	226.0451
SMILES	Fc1c2c(cc(c1)Br)ccnc2
Synonyms	6-bromo-8-fluoroisoquinoline, 1258833-77-0, Isoquinoline, 6-bromo-8-fluoro-, 6?bromo?8?fluoroisoquinoline, SCHEMBL567384, KS-000005HR, MFCD28125257, ZINC98210220, AKOS025396124, ACN-049039, AS-52633, CS-0040790, FT-0747335, Z1946684558, 6bromo8fluoroisoquinoline,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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