AG0001K4

1003048-72-3 | 1H-Inden-1-one, 4-bromo-7-fluoro-2,3-dihydro-

AG0001K4

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CAS Number	1003048-72-3
Catalog Number	AG0001K4(AGN-PC-09TBH6)
Chemical Name	1H-Inden-1-one, 4-bromo-7-fluoro-2,3-dihydro-
IUPAC Name	4-bromo-7-fluoro-2,3-dihydroinden-1-one
InChI	InChI=1S/C9H6BrFO/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3H,1,4H2
InChI Key	HNXHWYGTXAJDEC-UHFFFAOYSA-N
MDL Number	MFCD17677340
Molecular Formula	C9H6BrFO
Molecular Weight	229.0457
SMILES	FC1=C2C(=O)CCC2=C(Br)C=C1
Synonyms	4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one, 1003048-72-3, 4-Bromo-7-fluoro-1-indanone, 4-bromo-7-fluoro-2,3-dihydroinden-1-one, AMOT0460, 4-Bromo-7-fluoro-indan-1-one, SCHEMBL12261417, CTK8C3977, DTXSID30702404, HNXHWYGTXAJDEC-UHFFFAOYSA-N, BCP25575, KS-00000QP3, ANW-70893, MFCD17677340, ZINC85224919, AKOS016008106, CB-4172, CS-W022116, DS-4414, MP-0601, AK104893, CJ-22323, QC-10822, SC-11229, AB0043929, AJ-127648, TC-159638, 4CH-012093, FT-0766613, ST24023403, Z1896, 1H-Inden-1-one, 4-bromo-7-fluoro-2,3-dihydro-, 4-?Bromo-?7-?fluoro-?2,?3-?dihydroinden-?1-?one, C9H6BrFO, ACN-041046,

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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