AG003DJE

941294-25-3 | 1,3-Dichloro-7-fluoroisoquinoline

AG003DJE

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CAS Number	941294-25-3
Catalog Number	AG003DJE(AGN-PC-058CNR)
Chemical Name	1,3-Dichloro-7-fluoroisoquinoline
IUPAC Name	1,3-dichloro-7-fluoroisoquinoline
InChI	InChI=1S/C9H4Cl2FN/c10-8-3-5-1-2-6(12)4-7(5)9(11)13-8/h1-4H
InChI Key	RPCBWABYLPCEQX-UHFFFAOYSA-N
MDL Number	MFCD09763685
Molecular Formula	C9H4Cl2FN
Molecular Weight	216.0392
SMILES	Clc1c2c(cc(n1)Cl)ccc(c2)F
Synonyms	1,3-Dichloro-7-fluoroisoquinoline, 941294-25-3, ACMC-209rpf, SCHEMBL1992185, CTK5H5186, DTXSID20650485, RPCBWABYLPCEQX-UHFFFAOYSA-N, ACT06320, ZX-AP011456, 1,3-dichloro-7-fluoro-isoquinoline, ANW-40177, MFCD09763685, PC7422, SBB095197, ZINC16159490, Isoquinoline,1,3-dichloro-7-fluoro-, AKOS015851302, FCH1327269, Isoquinoline, 1,3-dichloro-7-fluoro-, QC-9381, RTR-029425, SB13566, AJ-68678, AK-90657, AN-26250, CJ-15464, SC-53362, AX8229303, TR-029425, 1,3-bis(chloranyl)-7-fluoranyl-isoquinoline, FT-0602189, ST24020935, V9356, B-4755, 294D253, A844818, C9H4Cl2FN, ACN-043919,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.97g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.036g/mol
Monoisotopic Mass	214.97g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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