AG000ESQ

1146-98-1 | 1H-Indene-1,3(2H)-dione, 2-(4-bromophenyl)-

AG000ESQ

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CAS Number	1146-98-1
Catalog Number	AG000ESQ(AGN-PC-0JKBPF)
Chemical Name	1H-Indene-1,3(2H)-dione, 2-(4-bromophenyl)-
IUPAC Name	2-(4-bromophenyl)indene-1,3-dione
InChI	InChI=1S/C15H9BrO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
InChI Key	NPUZIGSOEWMFKK-UHFFFAOYSA-N
MDL Number	MFCD00087378
Molecular Formula	C15H9BrO2
Molecular Weight	301.1348
NSC Number	759118
SMILES	C1(=O)C2=C(C=CC=C2)C(=O)C1C1=CC=C(Br)C=C1
UNII	OQZ7BND2QN
Synonyms	bromindione, fluidemin, BROMINDIONE, 1146-98-1, Fluidane, Bromophenindione, Haldinone, Halinone, p-Bromindione, Bromindionum, p-Bromphenylindandione, 2-(p-Bromophenyl)-1,3-indandione, 2-(4-Bromophenyl)-1,3-indandione, UNII-OQZ7BND2QN, 2-p-Bromophenylindandione, Bromindionum [INN-Latin], Bromindiona [INN-Spanish], 2-(4-bromophenyl)indene-1,3-dione, 2-(4-Bromophenyl)-1H-indene-1,3(2H)-dione, 1,3-Indandione, 2-(p-bromophenyl)-, Bromindione [USAN:INN:BAN], 1H-Indene-1,3(2H)-dione, 2-(4-bromophenyl)-, M.G. 2555, OQZ7BND2QN, 2-(4-Bromofenil)-1,3-indandione, 2-(4-Bromophenyl)indan-1,3-dione, HL 255, C15H9BrO2, MG 2555, BRN 1878512, 2-(4-Bromofenil)-1,3-indandione [Italian], NCGC00160590-01, DSSTox_CID_26244, DSSTox_RID_81471, DSSTox_GSID_46244, 2-(4-bromophenyl)-2,3-dihydro-1H-indene-1,3-dione, bromophendione, Bromindiona, CAS-1146-98-1, SR-01000078264, Circladin, Bromindione (USAN/INN), AC1Q24RA, MLS001195122, SCHEMBL309223, AC1L23P4, CHEMBL288496, DTXSID8046244, CTK7H0818, CHEBI:135274, NPUZIGSOEWMFKK-UHFFFAOYSA-N, HMS2093H17, HMS2864B20, Pharmakon1600-01505414, HY-B0917, ZX-AT020856, 2-(p-Bromophenyl)indan-1,3-dione, Tox21_111919, 2-(4-bromophenyl)indane-1,3-dione, 2-(p-Bromophenyl)-1,3-indanedione, HL-255, MFCD00087378, NSC759118, 2-(4-bromophenyl)indane-1,3-quinone, AKOS001483155, Tox21_111919_1, ZINC100003605, AN-5932, CCG-103151, MCULE-3564593863, MG-2555, NSC-759118, OR01624, NCGC00160590-03, Indane-1,3-dione, 2-(4-bromophenyl)-, LS-81139, SMR000554436, SBI-0206853.P001, FT-0663613, D03164, AB00823776_07, 2-(4-Bromophenyl)-1H-indene-1,3(2H)-dione #, J-003124, SR-01000078264-1, SR-01000078264-3, fluidemin, Bromindione [USAN:BAN:INN], C15-H9-Br-O2, CID14369, CS-4386, 2-(4-bromophenyl)-1,3-dioxohydrindene, 4-07-00-02572 (Beilstein Handbook Reference), C010689,

Complexity	334
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	299.979g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	301.139g/mol
Monoisotopic Mass	299.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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

Lot Number