AG0038A2

1029720-65-7 | 7-bromo-3-chloroisoquinoline

AG0038A2

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CAS Number	1029720-65-7
Catalog Number	AG0038A2(AGN-PC-093FJ8)
Chemical Name	7-bromo-3-chloroisoquinoline
IUPAC Name	7-bromo-3-chloroisoquinoline
InChI	InChI=1S/C9H5BrClN/c10-8-2-1-6-4-9(11)12-5-7(6)3-8/h1-5H
InChI Key	GPICPAIKTJPYEE-UHFFFAOYSA-N
MDL Number	MFCD11044699
Molecular Formula	C9H5BrClN
Molecular Weight	242.4997
SMILES	ClC1=CC2=C(C=N1)C=C(Br)C=C2
Synonyms	7-Bromo-3-chloroisoquinoline, 1029720-65-7, SCHEMBL933672, Isoquinoline,7-bromo-3-chloro-, CTK8C1304, DTXSID90679865, GPICPAIKTJPYEE-UHFFFAOYSA-N, KS-000003KC, ANW-66216, MFCD11044699, ZINC66322813, AKOS015969646, PB19116, PS-7555, QC-4190, RP05908, ISOQUINOLINE, 7-BROMO-3-CHLORO-, AK-79828, DA-19328, SC-89223, AB0037816, AJ-115887, ST1271495, TC-154961, FT-0759071, Y5147, C-2200, J-519128, W-204472, C9H5BrClN, 7-BROMO-3-CHLORO-ISOQUINOLINE, 7-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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number