AG002JAR

20780-74-9 | 1H-Indole-2,3-dione, 7-bromo-

AG002JAR

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CAS Number	20780-74-9
Catalog Number	AG002JAR(AGN-PC-0KEJCZ)
Chemical Name	1H-Indole-2,3-dione, 7-bromo-
IUPAC Name	7-bromo-1H-indole-2,3-dione
InChI	InChI=1S/C8H4BrNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)
InChI Key	OCVKSIWBTJCXPV-UHFFFAOYSA-N
MDL Number	MFCD00775708
Molecular Formula	C8H4BrNO2
Molecular Weight	226.0269
SMILES	O=C1c2c(NC1=O)c(Br)ccc2
Synonyms	7-Bromoisatin, 20780-74-9, 7-bromo-1H-indole-2,3-dione, 7-Bromoindoline-2,3-dione, 7-BROMO-2,3-DIOXOINDOLINE, 1H-INDOLE-2,3-DIONE, 7-BROMO-, 7-bromo-2,3-dihydro-1H-indole-2,3-dione, MFCD00774354, 7-Bromoindole-2,3-dione, 7-Bromoindole-1H-2,3-dione, 7-bromo isatin, 7-Bromo-isatin, PubChem16675, 7-Bromoisatin, 96%, ACMC-209fe7, AC1M47CJ, AC1Q24IE, KSC492G4B, MLS002473343, SCHEMBL935810, CHEMBL228239, Jsp004264, CTK3J2340, KS-00000DIS, DTXSID40367866, BUTTPARK 50\07-96, OCVKSIWBTJCXPV-UHFFFAOYSA-N, 1H-Indole-2,3-dione,7-bromo-, 7-bromanyl-1H-indole-2,3-dione, HMS3097O13, 7-BROMO-2,3-INDOLINEDIONE, ACT06691, BCP09352, ZINC3037953, ANW-24221, BBL022749, CB-553, SBB066728, STL259709, AKOS000115394, AB07072, AC-2791, CM14323, CS-W002675, FS-2288, LS20907, MCULE-1016034452, RP27633, RTC-060913, TRA0013770, VZ30899, 7- BROMO-1H-INDOLE-2,3-DIONE, 7-bromo-1H-benzo[d]azoline-2,3-dione, AJ-44363, AK-26794, AN-13600, BC004132, BC645073, BR-26794, CJ-10542, FS002018, SC-23123, SMR001397436, SY002925, AB0005692, AB1001473, DB-031737, ST2412516, TC-060913, AM20060876, B3974, FT-0638044, TL80073556, X0305, EN300-01156, B-7793, MFCD00774354 (97+%), A814883, SR-01000550581, I10-0327, Q-102078, SR-01000550581-1, Z56887738, C8H4BrNO2, 7-Bromoisatin, 97% 1g, ZINC03037953, 7-BROMO-1HINDOLE-2,3-DIONE, ACN-043390, CID2302353, A13121,

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	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number