AG00DM2U

51108-29-3 | 4-fluoro-1H-Isoindole-1,3(2H)-dione

AG00DM2U

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CAS Number	51108-29-3
Catalog Number	AG00DM2U(AGN-PC-03JVEN)
Chemical Name	4-fluoro-1H-Isoindole-1,3(2H)-dione
IUPAC Name	4-fluoroisoindole-1,3-dione
InChI	InChI=1S/C8H4FNO2/c9-5-3-1-2-4-6(5)8(12)10-7(4)11/h1-3H,(H,10,11,12)
InChI Key	ROFGDCOBISHGRK-UHFFFAOYSA-N
MDL Number	MFCD13196660
Molecular Formula	C8H4FNO2
Molecular Weight	165.1213
SMILES	O=C1NC(C2=C1C=CC=C2F)=O
Synonyms	4-FLUOROISOINDOLINE-1,3-DIONE, 51108-29-3, 3-fluorophthalimide, 4-fluoro-1h-isoindole-1,3(2h)-dione, 1H-Isoindole-1,3(2H)-dione, 4-fluoro-, 4-fluoro-2,3-dihydro-1H-isoindole-1,3-dione, 4-fluoroisoindole-1,3-dione, SCHEMBL1080129, CTK1E5354, DTXSID60622222, ROFGDCOBISHGRK-UHFFFAOYSA-N, MFCD13196660, ZINC49002076, AKOS015901110, AS-37735, AB0076321, AJ-110994, 4CH-023255, FT-0769984, ST24043758, X-2142, I14-14939,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.023g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	165.123g/mol
Monoisotopic Mass	165.023g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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