AG000KAU

1233025-78-9 | Isoquinoline, 8-bromo-1-chloro-

AG000KAU

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CAS Number	1233025-78-9
Catalog Number	AG000KAU(AGN-PC-09MP15)
Chemical Name	Isoquinoline, 8-bromo-1-chloro-
IUPAC Name	8-bromo-1-chloroisoquinoline
InChI	InChI=1S/C9H5BrClN/c10-7-3-1-2-6-4-5-12-9(11)8(6)7/h1-5H
InChI Key	RWBOOZDHIKMEHN-UHFFFAOYSA-N
MDL Number	MFCD13193666
Molecular Formula	C9H5BrClN
Molecular Weight	242.4997
SMILES	ClC1=NC=CC2=C1C(Br)=CC=C2
Synonyms	8-BROMO-1-CHLOROISOQUINOLINE, 1233025-78-9, 1-Chloro-8-bromoisoquinoline, MFCD13193666, SCHEMBL10030932, CTK8B8986, KS-00000HTA, DTXSID20680686, Isoquinoline, 8-bromo-1-chloro-, ACT10201, 4452AA, ANW-61741, ZINC63772310, AKOS016002865, CS-W003859, QC-8229, RP28540, AK-31790, DA-19485, DS-11528, SY019970, AB0073946, AJ-114451, TC-150486, FT-0697454, ST24045755, MFCD13193666 (95%), J-519378, C9H5BrClN, ACN-S004827,

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	3.8

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