AG0060TI

927801-25-0 | 8-Bromo-5-chloroisoquinoline

AG0060TI

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CAS Number	927801-25-0
Catalog Number	AG0060TI(AGN-PC-01LRB3)
Chemical Name	8-Bromo-5-chloroisoquinoline
IUPAC Name	8-bromo-5-chloroisoquinoline
InChI	InChI=1S/C9H5BrClN/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-5H
InChI Key	KIXRVDCXURGJAK-UHFFFAOYSA-N
MDL Number	MFCD08437009
Molecular Formula	C9H5BrClN
Molecular Weight	242.4997
SMILES	ClC1=CC=C(Br)C2=C1C=CN=C2
Synonyms	8-Bromo-5-chloroisoquinoline, 927801-25-0, 5-Chloro-8-bromoisoquinoline, AK100736, SCHEMBL17558948, CTK8C3342, KS-00000QVA, DTXSID20590599, 5679AC, ANW-69973, MFCD08437009, ZINC19721527, AKOS015969366, DS-3608, FCH1386773, SB21388, AJ-74387, AX8241658, TC-158718, ST24024561, UX00004862, 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	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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