AG000OX2

1258833-80-5 | 6-Bromo-7-fluoroisoquinoline

AG000OX2

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WARNING This product is not for human or veterinary use.

CAS Number	1258833-80-5
Catalog Number	AG000OX2(AGN-PC-0WBRAF)
Chemical Name	6-Bromo-7-fluoroisoquinoline
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
MDL Number	MFCD28166295
Molecular Formula	C9H5BrFN
Molecular Weight	226.0451
SMILES	BrC=1C=C2C=CN=CC2=CC1F
Synonyms	6-bromo-7-fluoroisoquinoline, 1258833-80-5, Isoquinoline, 6-bromo-7-fluoro-, SCHEMBL567554, 6-Bromo-7-fluoro-isoquinoline, BCP17529, KS-000006GH, MFCD28166295, AKOS025291128, ZINC114105519, FCH2910037, AK171458, AS-52209,

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	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number