AG00D830

51463-15-1 | 3(2H)-Isoquinolinone, 6-fluoro-

AG00D830

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CAS Number	51463-15-1
Catalog Number	AG00D830(AGN-PC-0OBIDT)
Chemical Name	3(2H)-Isoquinolinone, 6-fluoro-
IUPAC Name	6-fluoro-2H-isoquinolin-3-one
InChI	InChI=1S/C9H6FNO/c10-8-2-1-6-5-11-9(12)4-7(6)3-8/h1-5H,(H,11,12)
InChI Key	BOIWWELBMIJQOV-UHFFFAOYSA-N
MDL Number	MFCD11053873
Molecular Formula	C9H6FNO
Molecular Weight	163.1484
SMILES	OC1=CC2=C(C=N1)C=CC(F)=C2
Synonyms	6-Fluoroisoquinolin-3-ol, 51463-15-1, 6-Fluoroisoquinolin-3(2H)-one, 6-fluoro-2H-isoquinolin-3-one, 3(2H)-Isoquinolinone, 6-fluoro-, ACMC-209ktw, SCHEMBL2748404, SCHEMBL18770006, CTK4J4283, DTXSID70615761, BOIWWELBMIJQOV-UHFFFAOYSA-N, ANW-31266, ZINC38537133, AKOS006332744, 6-fluoro-2,3-dihydroisoquinolin-3-one, AK-94435, AN-41310, AS-50254, CJ-19367, TR-018326, ST24024405, V6327, 463F151, C9H6FNO, N/A,

Complexity	361
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	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number