AG0037OK

552331-06-3 | 6-Bromo-3-chloroisoquinoline

AG0037OK

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CAS Number	552331-06-3
Catalog Number	AG0037OK(AGN-PC-03R5UW)
Chemical Name	6-Bromo-3-chloroisoquinoline
IUPAC Name	6-bromo-3-chloroisoquinoline
InChI	InChI=1S/C9H5BrClN/c10-8-2-1-6-5-12-9(11)4-7(6)3-8/h1-5H
InChI Key	HYCCUWZOOADPGN-UHFFFAOYSA-N
MDL Number	MFCD08703290
Molecular Formula	C9H5BrClN
Molecular Weight	242.4997
SMILES	Brc1ccc2c(c1)cc(nc2)Cl
Synonyms	6-Bromo-3-chloroisoquinoline, 552331-06-3, 6-bromo-3-chloro-isoquinoline, SCHEMBL6833006, CTK8B5870, KS-00000IDM, DTXSID00626860, HYCCUWZOOADPGN-UHFFFAOYSA-N, Isoquinoline, 6-bromo-3-chloro-, ANW-50748, MFCD08703290, ZINC44831995, AKOS015851185, CB-3480, CS-W006052, KH-0723, QC-9345, RP05912, RTC-068149, SB12367, 6-Bromo-3-chloroisoquinoline, AldrichCPR, AK-40954, BR-40954, SY019645, AB0025458, AJ-110207, DB-071961, TC-068149, 4CH-009215, AM20061858, FT-0685862, ST24029660, W6926, MFCD08703290 (95%), C-1954, J-518363, C9H5BrClN, ACN-039066, 6-bromo-3-chloroisoquinoline, 95% - 1G 1g,

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

Certificate of Analysis

Lot Number