AG001ZSO

174603-56-6 | 1H-Inden-1-one, 4-bromo-6-fluoro-2,3-dihydro-

AG001ZSO

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CAS Number	174603-56-6
Catalog Number	AG001ZSO(AGN-PC-00FT6Q)
Chemical Name	1H-Inden-1-one, 4-bromo-6-fluoro-2,3-dihydro-
IUPAC Name	4-bromo-6-fluoro-2,3-dihydroinden-1-one
InChI	InChI=1S/C9H6BrFO/c10-8-4-5(11)3-7-6(8)1-2-9(7)12/h3-4H,1-2H2
InChI Key	KBBCLUTZUIWTON-UHFFFAOYSA-N
MDL Number	MFCD09038174
Molecular Formula	C9H6BrFO
Molecular Weight	229.0457
SMILES	Fc1cc(Br)c2c(c1)C(=O)CC2
Synonyms	174603-56-6, 4-Bromo-6-fluoro-2,3-dihydro-1H-inden-1-one, 4-BROMO-6-FLUOROINDAN-1-ONE, 4-bromo-6-fluoro-indan-1-one, 1H-Inden-1-one, 4-bromo-6-fluoro-2,3-dihydro-, 4-BROMO-6-FLUORO-1-INDANONE, 4-bromo-6-fluoro-2,3-dihydroinden-1-one, AMOT0670, SCHEMBL8365489, CTK4D5039, KS-00000NZY, DTXSID90472212, KBBCLUTZUIWTON-UHFFFAOYSA-N, MFCD09038174, ZINC36421241, AKOS015853428, CB-3651, MB06885, QC-7949, AJ-92803, AK-46355, DS-13797, AB0000912, ST2401883, TC-066200, 4CH-019383, CS-0041876, FT-0084185, FT-0653526, W3816, B-2166, 4-bromanyl-6-fluoranyl-2,3-dihydroinden-1-one, 1H-Inden-1-one,4-bromo-6-fluoro-2,3-dihydro-, A811671, I14-5683, C9H6BrFO, ACN-030602, CID11770230,

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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