AG005ZPF

956003-79-5 | 5-Bromo-8-chloroisoquinoline

AG005ZPF

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CAS Number	956003-79-5
Catalog Number	AG005ZPF(AGN-PC-07YND1)
Chemical Name	5-Bromo-8-chloroisoquinoline
IUPAC Name	5-bromo-8-chloroisoquinoline
InChI	InChI=1S/C9H5BrClN/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H
InChI Key	RRKXGHIWLJDUIU-UHFFFAOYSA-N
MDL Number	MFCD07644623
Molecular Formula	C9H5BrClN
Molecular Weight	242.4997
SMILES	ClC1=CC=C(Br)C2=C1C=NC=C2
Synonyms	5-Bromo-8-chloroisoquinoline, 956003-79-5, Isoquinoline, 5-bromo-8-chloro-, PubChem22091, SCHEMBL3394140, CTK5H7873, KS-00001APJ, DTXSID00676663, ANW-57044, MFCD07644623, ZINC19721795, AKOS015850337, CB-3482, PS-7556, RP05914, RTC-068147, AJ-74417, AM804609, BC004741, AB0038323, DB-080308, ST2418681, TC-068147, FT-0685919, Y5683, C-1793, J-517146, Z2234185637, C9H5BrClN,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.929g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.5g/mol
Monoisotopic Mass	240.929g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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

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