AG00GUIH

906820-09-5 | 4-Fluoroisoquinoline sulfurate

AG00GUIH

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CAS Number	906820-09-5
Catalog Number	AG00GUIH(AGN-PC-0WAAFP)
Chemical Name	4-Fluoroisoquinoline sulfurate
IUPAC Name	4-fluoroisoquinoline;sulfuric acid
InChI	InChI=1S/C9H6FN.H2O4S/c10-9-6-11-5-7-3-1-2-4-8(7)9;1-5(2,3)4/h1-6H;(H2,1,2,3,4)
InChI Key	UIWPLWVBONXKIT-UHFFFAOYSA-N
MDL Number	MFCD22377980
Molecular Formula	C9H8FNO4S
Molecular Weight	245.2275
SMILES	FC1=CN=CC2=C1C=CC=C2.O=S(O)(O)=O
Synonyms	4-fluoroisoquinoline sulfate, 906820-09-5, 4-FLUOROISOQUINOLINE SULFURATE, 4-Fluoro-isoquinoline sulfuric acid salt, 4-Fluoroisoquinoline sulphate, SCHEMBL999149, KS-00000LEQ, DTXSID70715598, 4-fluoroisoquinoline,sulfuric acid, 4-fluoroisoquinoline;sulfuric acid, UIWPLWVBONXKIT-UHFFFAOYSA-N, ACT10554, MFCD22377980, AKOS027338539, 4-fluoroisoquinoline sulfuric acid salt, AK340738, DS-12201, PC250004, Sulfuric acid--4-fluoroisoquinoline (1/1), ACN-037930,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.016g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	245.224g/mol
Monoisotopic Mass	245.016g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	95.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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