AG00EJVR

630422-89-8 | 1-Chloro-7-fluoroisoquinoline

AG00EJVR

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CAS Number	630422-89-8
Catalog Number	AG00EJVR(AGN-PC-03MTF8)
Chemical Name	1-Chloro-7-fluoroisoquinoline
IUPAC Name	1-chloro-7-fluoroisoquinoline
InChI	InChI=1S/C9H5ClFN/c10-9-8-5-7(11)2-1-6(8)3-4-12-9/h1-5H
InChI Key	WZJWWTFRSPUCDG-UHFFFAOYSA-N
MDL Number	MFCD16883053
Molecular Formula	C9H5ClFN
Molecular Weight	181.5941
SMILES	FC1=CC2=C(C=C1)C=CN=C2Cl
Synonyms	1-Chloro-7-fluoroisoquinoline, 630422-89-8, SCHEMBL1315422, DTXSID00623859, Isoquinoline, 1-chloro-7-fluoro-, MFCD16883053, ZINC82766574, AKOS017516450, NE45257, AS-41508, SC-91007, Y5495, AS-813/43502011, F8880-7142, C9H5ClFN, 1-chloro-7-fluoroisoquinoline, 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	181.009g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.594g/mol
Monoisotopic Mass	181.009g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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