AG001CF9

1404367-17-4 | Isoquinoline, 4-bromo-8-fluoro-

AG001CF9

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CAS Number	1404367-17-4
Catalog Number	AG001CF9(AGN-PC-0WCXSR)
Chemical Name	Isoquinoline, 4-bromo-8-fluoro-
IUPAC Name	4-bromo-8-fluoroisoquinoline
InChI	InChI=1S/C9H5BrFN/c10-8-5-12-4-7-6(8)2-1-3-9(7)11/h1-5H
InChI Key	UHILZFOAYBIJLR-UHFFFAOYSA-N
MDL Number	MFCD22690396
Molecular Formula	C9H5BrFN
Molecular Weight	226.0451
SMILES	FC1=CC=CC2=C1C=NC=C2Br
Synonyms	4-BROMO-8-FLUOROISOQUINOLINE, 1404367-17-4, Isoquinoline, 4-bromo-8-fluoro-, SCHEMBL13724624, UHILZFOAYBIJLR-UHFFFAOYSA-N, MFCD22690396, ZINC91692728, AKOS024154843, FCH2309333, AK174500, AS-39146,

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-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number