AG00621D

679433-94-4 | 5-Bromo-8-fluoroisoquinoline

AG00621D

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WARNING This product is not for human or veterinary use.

CAS Number	679433-94-4
Catalog Number	AG00621D(AGN-PC-0I5I2K)
Chemical Name	5-Bromo-8-fluoroisoquinoline
IUPAC Name	5-bromo-8-fluoroisoquinoline
InChI	InChI=1S/C9H5BrFN/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H
InChI Key	VRNWNPVURSCXKC-UHFFFAOYSA-N
MDL Number	MFCD28976010
Molecular Formula	C9H5BrFN
Molecular Weight	226.0451
SMILES	FC1=CC=C(Br)C2=C1C=NC=C2
Synonyms	5-Bromo-8-fluoroisoquinoline, 679433-94-4, 5-Bromo-8-fluoro-isoquinoline, SCHEMBL3713073, CTK8C2187, DTXSID50738967, Isoquinoline, 5-bromo-8-fluoro-, VRNWNPVURSCXKC-UHFFFAOYSA-N, ANW-67958, MFCD18447885, ZINC82767297, AKOS016006944, CS-W006767, MP-1274, QC-7983, AK-80922, DS-16066, AB0068758, AJ-125585, TC-156703, 4CH-012042, ST24023988, Z5030, C9H5BrFN,

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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number