AG00IIZX

953421-72-2 | 4-Bromo-7-chloroisoquinoline

AG00IIZX

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CAS Number	953421-72-2
Catalog Number	AG00IIZX(AGN-PC-0BLDHH)
Chemical Name	4-Bromo-7-chloroisoquinoline
IUPAC Name	4-bromo-7-chloroisoquinoline
InChI	InChI=1S/C9H5BrClN/c10-9-5-12-4-6-3-7(11)1-2-8(6)9/h1-5H
InChI Key	ZQABKYUYLHWNCU-UHFFFAOYSA-N
MDL Number	MFCD21604719
Molecular Formula	C9H5BrClN
Molecular Weight	242.4997
SMILES	ClC1=CC2=C(C=C1)C(Br)=CN=C2
Synonyms	4-bromo-7-chloroisoquinoline, 953421-72-2, SCHEMBL4064559, DTXSID00719903, Isoquinoline, 4-bromo-7-chloro-, ZQABKYUYLHWNCU-UHFFFAOYSA-N, MFCD21604719, ZINC72319634, AKOS024157604, MCULE-8786863912, NE50508, AS-49606, DA-00299, FT-0687587, Z1696871289, ACN-001344,

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-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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