AG0035W5

410086-27-0 | 7-fluoroisoquinolin-1(2H)-one

AG0035W5

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CAS Number	410086-27-0
Catalog Number	AG0035W5(AGN-PC-03MTEA)
Chemical Name	7-fluoroisoquinolin-1(2H)-one
IUPAC Name	7-fluoro-2H-isoquinolin-1-one
InChI	InChI=1S/C9H6FNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-5H,(H,11,12)
InChI Key	FUOKJYPVIFOPQF-UHFFFAOYSA-N
MDL Number	MFCD15832811
Molecular Formula	C9H6FNO
Molecular Weight	163.1484
SMILES	FC1=CC=C2C=CNC(C2=C1)=O
Synonyms	410086-27-0, 7-fluoroisoquinolin-1(2H)-one, 7-FLUOROISOQUINOLIN-1-OL, 1(2H)-Isoquinolinone, 7-fluoro-, 7-fluoro-1,2-dihydroisoquinolin-1-one, SCHEMBL1536413, 7-fluoro-2h-isoquinolin-1-one, SCHEMBL12053800, 1(2h)-isoquinolinone,7-fluoro-, 7-Fluoroisoquinoline-1(2H)-one, DTXSID80623857, FUOKJYPVIFOPQF-UHFFFAOYSA-N, MFCD11847593, ZINC39089007, AKOS017515727, AS-38993, SC-33732, AB0078920, F8888-7786, Z1948934152, 7-fluoroisoquinolin-1-ol, 95% - 1G 1g,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.151g/mol
Monoisotopic Mass	163.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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