AG001LF4

149142-67-6 | 1H-Pyrrolo[2,3-b]pyridine-2,3-dione, 5-bromo-

AG001LF4

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CAS Number	149142-67-6
Catalog Number	AG001LF4(AGN-PC-09Q61H)
Chemical Name	1H-Pyrrolo[2,3-b]pyridine-2,3-dione, 5-bromo-
IUPAC Name	5-bromo-1H-pyrrolo[2,3-b]pyridine-2,3-dione
InChI	InChI=1S/C7H3BrN2O2/c8-3-1-4-5(11)7(12)10-6(4)9-2-3/h1-2H,(H,9,10,11,12)
InChI Key	RAIHKZDTYPKUHB-UHFFFAOYSA-N
MDL Number	MFCD13193450
Molecular Formula	C7H3BrN2O2
Molecular Weight	227.0149
SMILES	BrC1=CC2=C(NC(=O)C2=O)N=C1
Synonyms	5-Bromo-1H-pyrrolo[2,3-b]pyridine-2,3-dione, 149142-67-6, 1H-Pyrrolo[2,3-b]pyridine-2,3-dione, 5-bromo-, AK-31151, 5-bromo-7-azaisatin, SCHEMBL2493112, KS-00000PSP, DTXSID90693283, RAIHKZDTYPKUHB-UHFFFAOYSA-N, MFCD13193450, ZINC66327921, AKOS015892059, FCH1381956, MP-1558, AN-16261, CJ-21292, DS-11739, AB0051482, AJ-116095, AX8226991, DB-063790, 4CH-011520, FT-0762341, ST24023877, Z4188, 5-bromo-1H-pyrrolo[2,3-b]pyridin-2,3-dione, I02-2792, 5-bromo-2h,3h,7h-pyrrolo[2,3-b]pyridine-2,3-dione, C7H3BrN2O2,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.938g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	227.017g/mol
Monoisotopic Mass	225.938g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	59.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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