AG007R2J

197067-27-9 | 3,3-Difluoroindolin-2-one

AG007R2J

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CAS Number	197067-27-9
Catalog Number	AG007R2J(AGN-PC-0LQ13V)
Chemical Name	3,3-Difluoroindolin-2-one
IUPAC Name	3,3-difluoro-1H-indol-2-one
InChI	InChI=1S/C8H5F2NO/c9-8(10)5-3-1-2-4-6(5)11-7(8)12/h1-4H,(H,11,12)
InChI Key	AORVPBLZSJVLCI-UHFFFAOYSA-N
MDL Number	MFCD18450082
Molecular Formula	C8H5F2NO
Molecular Weight	169.1282
SMILES	FC1(C(NC2=CC=CC=C12)=O)F
Synonyms	3,3-Difluoroindolin-2-one, 197067-27-9, 3,3-difluoro-1H-indol-2-one, Difluoroindolin-2-one, 3,3-difluoro-2,3-dihydro-1H-indol-2-one, 3,3-Difluoroindoline-2-one, SCHEMBL318947, AC1NT492, CTK8C0452, DTXSID80415835, AORVPBLZSJVLCI-UHFFFAOYSA-N, 0151AB, ANW-64699, MFCD18450082, ZINC33834791, AKOS016007214, AB75832, CN-0204, FCH1860814, 3,3-Difluoro-1,3-dihydro-indol-2-one, AJ-86350, AK103543, AB0078406, AX8235082, TC-153444, ST24041110, 2H-Indol-2-one,3,3-difluoro-1,3-dihydro-, 2H-Indol-2-one, 3,3-difluoro-1,3-dihydro-, X-2337, 3,3-DIFLUORO-1,3-DIHYDRO-2H-INDOL-2-ONE, InChI=1/C8H5F2NO/c9-8(10)5-3-1-2-4-6(5)11-7(8)12/h1-4H,(H,11,12, C8H5F2NO, CID5323821,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.034g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	169.131g/mol
Monoisotopic Mass	169.034g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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