AG003MK7

87-48-9 | 5-Bromoindoline-2,3-dione

AG003MK7

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CAS Number	87-48-9
Catalog Number	AG003MK7(AGN-PC-0JK7SW)
Chemical Name	5-Bromoindoline-2,3-dione
EC Number	201-747-7
IUPAC Name	5-bromo-1H-indole-2,3-dione
InChI	InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
InChI Key	MBVCESWADCIXJN-UHFFFAOYSA-N
MDL Number	MFCD00005719
Molecular Formula	C8H4BrNO2
Molecular Weight	226.0269
NSC Number	4980
SMILES	O=C1NC2=C(C=C(Br)C=C2)C1=O
Synonyms	5-bromisatin, 5-bromoisatin, 5-Bromoisatin, 87-48-9, 5-Bromoindoline-2,3-dione, 5-Bromo-1H-indole-2,3-dione, 5-Bromoindole-2,3-dione, Isatin, 5-bromo-, 5-Bromisatin, 1H-Indole-2,3-dione, 5-bromo-, Bromoisatin, 5-Bromisatin [Czech], 5-bromo-2,3-dihydro-1H-indole-2,3-dione, NSC 4980, 5-bromo-2-hydroxy-3H-indol-3-one, EINECS 201-747-7, INDOLE-2,3-DIONE, 5-BROMO-, BRN 0383760, MBVCESWADCIXJN-UHFFFAOYSA-N, MFCD00149345, 5-Bromoisatin, 98%, 5-bromo isatin, 5-bromo-isatin, PubChem1666, Indole-2, 5-bromo-, AC1L1NIV, ACMC-209qo2, Isatin-based compound, 34, 1H-Indole-2, 5-bromo-, 5-Bromo-2,3-indolinedione, WLN: T56 BMVVJ GE, 5-21-10-00264 (Beilstein Handbook Reference), 5-bromoindoline-2,3-dione;, ARONIS24976, SCHEMBL136581, 5-bromo-1H-indole-2,3dione, AC1Q258C, AC1Q258D, AC1Q25Y7, CHEMBL115897, 5-BROMOISATIN MONOHYDRATE, BDBM22814, CTK3J2486, KS-00000DIW, DTXSID30236037, NSC4980, 5-Bromo -1H-indole-2,3-dione, 5-Bromo-1H-indole-2,3-dione #, BCP04280, EBD47956, KS-000046VO, NSC-4980, STR04158, ZINC2041212, AN-786, ANW-38832, BBL009767, BBL016372, HTS001090, MFCD00005719, SBB038749, STK364356, STL140691, 5-Bromoisatin, technical grade, 90%, AKOS000200674, AKOS002375882, AS04548, CS-W007383, FS-2520, LS20870, MCULE-7183184474, RD-0119, RTX-012120, TRA0078668, 5-bromo-1H-benzo[d]azoline-2,3-dione, 5-bromo-1H-benzo[d]azolidine-2,3-dione, AC-14581, AJ-33296, AK-45956, AM808100, BC002205, BR-45956, CJ-07677, CJ-32548, CJ-32549, K562, LS-83023, SC-07101, 1H-Indole-2,3-dione, 5-bromo- (9CI), AB0014286, AB1004333, DB-026328, BB 0258954, FT-0084548, FT-0620163, H4431, ST45053713, EN300-18123, M-1894, SR-01000402436, I14-0221, SR-01000402436-1, W-104018, Z57833927, F0900-5717, null, Phortress, C8H4BrNO2, C8-H4-Br-N-O2, CID6889, AR-1G7354, ZINC01680642, 5-Bromoisatin, 98% - 25G 25g, ACN-025926, B1566, 328087-38-3, 93658-58-3,

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	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H318-H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P405-P501a-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P310
UN Code	\N

Certificate of Analysis

Lot Number