AG003LFI

394-67-2 | 4-Fluoroisoquinoline

AG003LFI

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CAS Number	394-67-2
Catalog Number	AG003LFI(AGN-PC-0JU7K4)
Chemical Name	4-Fluoroisoquinoline
IUPAC Name	4-fluoroisoquinoline
InChI	InChI=1S/C9H6FN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
InChI Key	VFFQGPWQVYUFLV-UHFFFAOYSA-N
MDL Number	MFCD06656128
Molecular Formula	C9H6FN
Molecular Weight	147.1490
SMILES	FC1=CN=CC2=C1C=CC=C2
Synonyms	4-fluoroisoquinoline, 394-67-2, isoquinoline, 4-fluoro-, 4-Fluoro-isoquinoline, 4-fluoranylisoquinoline, AC1LD1VZ, SCHEMBL998807, CTK1C1994, KS-00000DJU, DTXSID80348836, VFFQGPWQVYUFLV-UHFFFAOYSA-N, FCH852913, MFCD06656128, ZINC14989389, AKOS006294594, QC-9374, VQ10437, TRA-0184736, AK208822, BC227747, DS-10169, PC250003, SY027896, AB0038066, DB-069817, CS-0044001, FT-0692483, Y5413, MFCD06656128 (97%), X-2919, A824559, InChI=1/C9H6FN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6, fluoroisoquinoline, 4- Fluoro isoquinoline, C9H6FN, CID640973, ACN-037931,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.048g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.152g/mol
Monoisotopic Mass	147.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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

Lot Number