AG002JAS

20780-72-7 | 1H-Indole-2,3-dione, 4-bromo-

AG002JAS

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CAS Number	20780-72-7
Catalog Number	AG002JAS(AGN-PC-0LC8BK)
Chemical Name	1H-Indole-2,3-dione, 4-bromo-
IUPAC Name	4-bromo-1H-indole-2,3-dione
InChI	InChI=1S/C8H4BrNO2/c9-4-2-1-3-5-6(4)7(11)8(12)10-5/h1-3H,(H,10,11,12)
InChI Key	ITRAKBJPMLKWIW-UHFFFAOYSA-N
MDL Number	MFCD03618555
Molecular Formula	C8H4BrNO2
Molecular Weight	226.0269
SMILES	O=C1Nc2cccc(c2(C1(=O)))Br
Synonyms	4-bromoisatin, 20780-72-7, 4-bromo-1H-indole-2,3-dione, 4-Bromo-Isatin, 4-bromoindoline-2,3-dione, 4-Bromoindole-2,3-dione, 1H-Indole-2,3-dione, 4-bromo-, 4-bromo-2,3-dihydro-1H-indole-2,3-dione, 4-BROMO-2,3-INDOLINEDIONE, MFCD03618555, 4-bromo-1H-benzo[d]azolidine-2,3-dione, 4-Broisatin, PubChem3903, AC1NBW3T, ACMC-209fe6, AC1Q24HW, KSC492G3T, SCHEMBL281203, CHEMBL226658, Jsp004263, CTK3J2339, DTXSID60403730, BUTTPARK 50\07-93, ITRAKBJPMLKWIW-UHFFFAOYSA-N, 4-bromanyl-1H-indole-2,3-dione, ACT04487, ALBB-002982, BCP22780, KS-00000C7Q, STR08947, ZINC2509229, ANW-24220, BBL016802, SBB054675, STK434994, AKOS000266239, AB15602, AC-3166, BCP9000157, CM14355, CS-W008631, FS-2679, LS20918, MCULE-9828880650, RP27631, RTR-009747, TRA0068544, VZ28606, AJ-36303, AK-31884, AN-13268, BC002658, BC205626, BR-31884, CJ-08537, SC-02361, SY004146, 4-Bromo-1H-indole-2,3-dione, AldrichCPR, AB0005691, AB1000047, DB-026190, ST2411234, TR-009747, AM20061101, B2423, FT-0083526, FT-0647000, ST45027987, X0251, EN300-24131, MFCD03618555 (98%), M-6506, A814882, I14-0358, J-514819, Z172492238, C8H4BrNO2, ZINC02509229, ACN-043388, CID4500012, 3-bromo-1-(methoxymethyl)-1H-1,2,4-triazole,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.943g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.029g/mol
Monoisotopic Mass	224.943g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number