AG0034B0

611-09-6 | 5-Nitroindoline-2,3-dione

AG0034B0

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CAS Number	611-09-6
Catalog Number	AG0034B0(AGN-PC-0LF5PQ)
Chemical Name	5-Nitroindoline-2,3-dione
EC Number	210-252-5
IUPAC Name	5-nitro-1H-indole-2,3-dione
InChI	InChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)
InChI Key	UNMYHYODJHKLOC-UHFFFAOYSA-N
MDL Number	MFCD00005720
Molecular Formula	C8H4N2O4
Molecular Weight	192.1284
NSC Number	525798
SMILES	O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-]
UNII	J4J633881Z
Synonyms	5-Nitroisatin, 611-09-6, 5-Nitroindoline-2,3-dione, 5-Nitroindole-2,3-dione, 5-Nitro-1H-indole-2,3-dione, 1H-Indole-2,3-dione, 5-nitro-, N-Nitroisatin, INDOLE-2,3-DIONE, 5-NITRO-, Isatin, 5-nitro-, CCRIS 4031, UNII-J4J633881Z, 5-Nitroisatin, 97%, EINECS 210-252-5, MFCD00005720, NSC 525798, 2,3-Dihydro-5-nitroindole-2,3-dione, BRN 0180223, CHEMBL118305, UNMYHYODJHKLOC-UHFFFAOYSA-N, J4J633881Z, 5-nitro-2,3-dihydro-1H-indole-2,3-dione, 5-Nitro isatin, Isatin, 5-nitro- (6CI), 5-nitroisatine, Isatin analog 3, NSC525798, PubChem15514, Indole-2, 5-nitro-, ACMC-209mp8, AC1NG4S8, Isatin-based compound, 37, 1H-Indole-2, 5-nitro-, 5-Nitro-2,3-indolinedione, DSSTox_CID_29287, DSSTox_RID_83406, DSSTox_GSID_49331, 5-21-10-00267 (Beilstein Handbook Reference), KSC354C0F, SCHEMBL455170, DTXSID8049331, BDBM10299, BDBM22817, CTK2F4102, UNMYHYODJHKLOC-UHFFFAOYSA-, ALBB-002904, KS-00000DJ9, ZINC3860649, Tox21_202937, ANW-33690, BBL015500, CN-142, SBB032973, STK098524, AKOS000200257, AC-5034, CCG-207875, CS-W007582, LS20913, MCULE-6544715476, NSC-525798, RL04303, TRA0058622, 5-nitro-1H-benzo[d]azoline-2,3-dione, NCGC00260483-01, 5-nitro-1H-benzo[d]azolidine-2,3-dione, AJ-46034, AK-59835, AN-11391, AS-15628, CAS-611-09-6, CJ-10873, LS-83040, Q089, SC-46892, SY039358, 1H-Indole-2,3-dione, 5-nitro- (9CI), AB0017391, AB1003100, DB-053794, ST2418841, TR-021058, FT-0620711, N0572, ST50188794, MFCD00005720 (97%), M-2374, 611N096, A833047, W-105194, InChI=1/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12), null, D0G2DQ, C8H4N2O4, C8-H4-N2-O4, 5-Nitroisatin, 98% - 25G 25g, CID4669250, 4'-Nitrobenzo(b)azacyclopentan-4,5-dion,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.017g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.13g/mol
Monoisotopic Mass	192.017g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	92A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

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