AG008Z4W

1041423-26-0 | 1,3-Dichloro-6-fluoroisoquinoline

AG008Z4W

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CAS Number	1041423-26-0
Catalog Number	AG008Z4W(AGN-PC-07YNEL)
Chemical Name	1,3-Dichloro-6-fluoroisoquinoline
IUPAC Name	1,3-dichloro-6-fluoroisoquinoline
InChI	InChI=1S/C9H4Cl2FN/c10-8-4-5-3-6(12)1-2-7(5)9(11)13-8/h1-4H
InChI Key	BDAYBRFYRZTMGQ-UHFFFAOYSA-N
MDL Number	MFCD11656163
Molecular Formula	C9H4Cl2FN
Molecular Weight	216.0392
SMILES	FC1=CC2=C(C(Cl)=NC(Cl)=C2)C=C1
Synonyms	1,3-Dichloro-6-fluoroisoquinoline, 1041423-26-0, ACMC-20ap4c, SCHEMBL8167379, CTK7C1449, KS-00000QRG, DTXSID80676686, BDAYBRFYRZTMGQ-UHFFFAOYSA-N, 1,3-dichloro-6-fluoro-isoquinoline, MFCD11656163, ZINC43215015, AKOS015851284, Isoquinoline, 1,3-dichloro-6-fluoro-, QC-9380, RTR-072529, SB13565, 1,3-Dichloro-6-fluoroisoquinoline, 97%, AK206429, DS-10126, AB0097768, DB-059104, TR-072529, CS-0040535, FT-0717615, J-001114, ACN-043765,

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	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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