AG001EO8

147149-84-6 | 1H-Indole-2,3-dione, 4-bromo-5-methyl-

AG001EO8

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CAS Number	147149-84-6
Catalog Number	AG001EO8(AGN-PC-0JTRMH)
Chemical Name	1H-Indole-2,3-dione, 4-bromo-5-methyl-
IUPAC Name	4-bromo-5-methyl-1H-indole-2,3-dione
InChI	InChI=1S/C9H6BrNO2/c1-4-2-3-5-6(7(4)10)8(12)9(13)11-5/h2-3H,1H3,(H,11,12,13)
InChI Key	DKAVQCARZCYRIS-UHFFFAOYSA-N
MDL Number	MFCD00560709
Molecular Formula	C9H6BrNO2
Molecular Weight	240.0534
SMILES	CC1=CC=C2NC(=O)C(=O)C2=C1Br
Synonyms	4-Bromo-5-methylisatin, 147149-84-6, 4-Bromo-5-methylindoline-2,3-dione, 4-Bromo-5-methyl-1H-indole-2,3-dione, 4-bromo-5-methyl-2,3-dihydro-1H-indole-2,3-dione, 1H-Indole-2,3-dione, 4-bromo-5-methyl-, 1H-Indole-2,3-dione,4-bromo-5-methyl-, 4-bromo-5-methyl-1H-benzo[d]azoline-2,3-dione, ZERO/001456, PubChem13604, ACMC-1BXYB, 4-BROMO-5-METHYL-2,3-INDOLINEDIONE, AC1LD31X, AC1Q2D5N, Cambridge id 5214771, ARONIS016715, SCHEMBL7827616, CTK4C5276, KS-00000DIT, DTXSID10346325, DKAVQCARZCYRIS-UHFFFAOYSA-N, ZINC1807044, 4-bromo-5-methylisatin, AldrichCPR, ANW-58503, CB-255, MFCD00560709, SBB000790, STK015238, AKOS000484013, CS-W022110, LS20921, MCULE-2783711254, NE11585, PS-5879, RP28410, RTC-060921, TRA0034484, VZ28558, KS-000049B6, AC-14349, AJ-31722, AK-81498, AM803228, BAS 00313455, BC003781, CJ-07093, CJ-29929, SC-15583, ST033418, SY002069, U483, 4-bromanyl-5-methyl-1H-indole-2,3-dione, 4-Bromo-5-methyl-1H-indole-2,3-dione #, AB0019289, DB-042874, TC-060921, 4CH-021486, FT-0643401, ST24043448, MFCD00560709 (97%), AB00075474-01, Indole-2,3(2H,3H)-dione, 4-bromo-5-methyl-, 149B846, A808617, AG-690/09157060, SR-01000456620, I14-0031, J-008320, SR-01000456620-1, F1443-4473, C9H6BrNO2, CID611204,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.958g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	240.056g/mol
Monoisotopic Mass	238.958g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H412
Packing Group
Precautionary statements	P273
UN Code

Certificate of Analysis

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