AG007YBU

1029720-67-9 | 5-Bromo-3-chloroisoquinoline

AG007YBU

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CAS Number	1029720-67-9
Catalog Number	AG007YBU(AGN-PC-093FJ7)
Chemical Name	5-Bromo-3-chloroisoquinoline
IUPAC Name	5-bromo-3-chloroisoquinoline
InChI	InChI=1S/C9H5BrClN/c10-8-3-1-2-6-5-12-9(11)4-7(6)8/h1-5H
InChI Key	WSNRPWWRYCNOJB-UHFFFAOYSA-N
MDL Number	MFCD11044700
Molecular Formula	C9H5BrClN
Molecular Weight	242.4997
SMILES	ClC1=CC2=C(C=CC=C2Br)C=N1
Synonyms	5-Bromo-3-chloroisoquinoline, 1029720-67-9, MFCD11044700, 5-Bromo 3-chloroisoquinoline, SCHEMBL12930800, CTK8C1303, KS-00002ARK, Isoquinoline, 5-bromo-3-chloro-, WSNRPWWRYCNOJB-UHFFFAOYSA-N, ANW-66215, ZINC71789936, AKOS016004657, PS-7553, SB12416, CJ-21545, DA-16145, AB0037817, AJ-118592, TC-154960, FT-0723295, Y5148, C-0374, C9H5BrClN, 4-Bromo-5-chloroisoquinoline, 5-bromo-3-chloroisoquinoline, 95% - 1G 1g, 1256787-17-3,

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

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