AG000QPV

1260016-95-2 | 1H-Inden-1-one, 7-bromo-5-fluoro-2,3-dihydro-

AG000QPV

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CAS Number	1260016-95-2
Catalog Number	AG000QPV(AGN-PC-0GXAFC)
Chemical Name	1H-Inden-1-one, 7-bromo-5-fluoro-2,3-dihydro-
IUPAC Name	7-bromo-5-fluoro-2,3-dihydroinden-1-one
InChI	InChI=1S/C9H6BrFO/c10-7-4-6(11)3-5-1-2-8(12)9(5)7/h3-4H,1-2H2
InChI Key	QIXWPINRZMAUAE-UHFFFAOYSA-N
MDL Number	MFCD16876114
Molecular Formula	C9H6BrFO
Molecular Weight	229.0457
SMILES	O=C1CCC2=C1C(Br)=CC(F)=C2
Synonyms	7-Bromo-5-fluoro-1-indanone, 1260016-95-2, 7-Bromo-5-fluoro-2,3-dihydro-1H-inden-1-one, AMOT0602, SCHEMBL16290371, QIXWPINRZMAUAE-UHFFFAOYSA-N, ACT08890, 6477AJ, MFCD16876114, ZINC72202812, AKOS015935019, CB-4175, DS-4761, FCH1348831, TRA0028213, AC-25596, AK134274, SC-47950, SY020446, AB0000394, AJ-119738, AX8255825, TC-308020, CS-0064116, Z-4582, MFCD16876114 (97+%), 1H-Inden-1-one, 7-bromo-5-fluoro-2,3-dihydro-, C9H6BrFO, 3-bromo-5-fluoro-4-methoxyaniline, ACN-041074, 16687-61-9, 875664-44-1,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.959g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.048g/mol
Monoisotopic Mass	227.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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