AG0072KB

214045-86-0 | Isoquinoline, 1-chloro-6-fluoro-

AG0072KB

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CAS Number	214045-86-0
Catalog Number	AG0072KB(AGN-PC-03HFQ7)
Chemical Name	Isoquinoline, 1-chloro-6-fluoro-
IUPAC Name	1-chloro-6-fluoroisoquinoline
InChI	InChI=1S/C9H5ClFN/c10-9-8-2-1-7(11)5-6(8)3-4-12-9/h1-5H
InChI Key	QZBWBBHQRLUOTM-UHFFFAOYSA-N
MDL Number	MFCD09959717
Molecular Formula	C9H5ClFN
Molecular Weight	181.5941
SMILES	Fc1ccc2c(c1)ccnc2Cl
Synonyms	1-CHLORO-6-FLUOROISOQUINOLINE, 214045-86-0, Isoquinoline, 1-chloro-6-fluoro-, SCHEMBL241172, 1-chloro-6-fluoro isoquinoline, 1-Chloro-6-fluoro-isoquinoline, CTK0J7594, KS-00000QSB, DTXSID00619752, QZBWBBHQRLUOTM-UHFFFAOYSA-N, MFCD09959717, ZINC36258008, AKOS006313512, AB55623, MCULE-7358409475, AK311367, SC-34526, BB 0262446, CS-0042595, Y5343, W-4286, 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	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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