AG00IGWP

918490-51-4 | 7-Chloro-6-fluoroisoquinoline

AG00IGWP

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CAS Number	918490-51-4
Catalog Number	AG00IGWP(AGN-PC-09RZBQ)
Chemical Name	7-Chloro-6-fluoroisoquinoline
IUPAC Name	7-chloro-6-fluoroisoquinoline
InChI	InChI=1S/C9H5ClFN/c10-8-3-7-5-12-2-1-6(7)4-9(8)11/h1-5H
InChI Key	BCZPUVXMWIBIRE-UHFFFAOYSA-N
MDL Number	MFCD11846299
Molecular Formula	C9H5ClFN
Molecular Weight	181.5941
SMILES	FC1=C(Cl)C=C2C(C=CN=C2)=C1
Synonyms	7-CHLORO-6-FLUOROISOQUINOLINE, 918490-51-4, Isoquinoline, 7-chloro-6-fluoro-, 6-Fluoro-7-chloroisoquinoline, SCHEMBL1411933, 6-Fluoro-7-chloro-isoquinoline, 7-Chloro-6-fluoro-isoquinoline, CTK3H7052, DTXSID50697469, BCZPUVXMWIBIRE-UHFFFAOYSA-N, KS-00002BB4, 3194AF, ZINC90484645, AKOS026675655, MCULE-2467547301, NE50435, SS-4666, SC-37232, Z1834265766, C9H5ClFN,

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	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H318-H335-H413
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number