AG000PBP

1196155-73-3 | Isoquinoline, 1-bromo-7-chloro-

AG000PBP

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CAS Number	1196155-73-3
Catalog Number	AG000PBP(AGN-PC-0J20IC)
Chemical Name	Isoquinoline, 1-bromo-7-chloro-
IUPAC Name	1-bromo-7-chloroisoquinoline
InChI	InChI=1S/C9H5BrClN/c10-9-8-5-7(11)2-1-6(8)3-4-12-9/h1-5H
InChI Key	OOPNOHVOHJARSZ-UHFFFAOYSA-N
MDL Number	MFCD13190245
Molecular Formula	C9H5BrClN
Molecular Weight	242.4997
SMILES	ClC1=CC2=C(C=C1)C=CN=C2Br
Synonyms	1-Bromo-7-chloroisoquinoline, 1196155-73-3, 1-BROMO-7-CHLORO-ISOQUINOLINE, SCHEMBL17398192, CTK8B6193, DTXSID60742631, Isoquinoline, 1-bromo-7-chloro-, OOPNOHVOHJARSZ-UHFFFAOYSA-N, ZX-AT001738, ANW-52918, MFCD13190245, ZINC71482517, AKOS015999929, AB70047, FCH1381438, QC-3400, KS-00000Q21, AK-94308, AM806582, DA-19256, DS-17945, OR300112, AB0037892, AJ-118054, AX8231654, TC-141663, 4CH-011798, CS-0041516, FT-0769796, ST24021280, Y5225, Q-9153, F2147-8763, C9H5BrClN, ACN-052349, 1-bromo-7-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

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