AG000L94

1239463-43-4 | Isoquinoline, 5-bromo-6-fluoro-

AG000L94

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CAS Number	1239463-43-4
Catalog Number	AG000L94(AGN-PC-0WBRAE)
Chemical Name	Isoquinoline, 5-bromo-6-fluoro-
IUPAC Name	5-bromo-6-fluoroisoquinoline
InChI	InChI=1S/C9H5BrFN/c10-9-7-3-4-12-5-6(7)1-2-8(9)11/h1-5H
InChI Key	FCYBYIPLDCYGMH-UHFFFAOYSA-N
MDL Number	MFCD20527917
Molecular Formula	C9H5BrFN
Molecular Weight	226.0451
SMILES	BrC1=C2C=CN=CC2=CC=C1F
Synonyms	5-bromo-6-fluoroisoquinoline, 1239463-43-4, SCHEMBL3716490, FCYBYIPLDCYGMH-UHFFFAOYSA-N, Isoquinoline, 5-bromo-6-fluoro-, ZINC82767296, AKOS022880283, FCH1418497, AK476929, AS-60711, AX8300627, CS-0044905,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.95894g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.04g/mol
Monoisotopic Mass	224.95894g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9Ų
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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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