AG003LWI

89-40-7 | 5-Nitroisoindoline-1,3-dione

AG003LWI

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CAS Number	89-40-7
Catalog Number	AG003LWI(AGN-PC-0JK7UH)
Chemical Name	5-Nitroisoindoline-1,3-dione
EC Number	201-905-5
IUPAC Name	5-nitroisoindole-1,3-dione
InChI	InChI=1S/C8H4N2O4/c11-7-5-2-1-4(10(13)14)3-6(5)8(12)9-7/h1-3H,(H,9,11,12)
InChI Key	ANYWGXDASKQYAD-UHFFFAOYSA-N
MDL Number	MFCD00005884
Molecular Formula	C8H4N2O4
Molecular Weight	192.1284
NSC Number	5394
SMILES	O=C1NC(C2=C1C=CC([N+]([O-])=O)=C2)=O
UNII	26NA19UI3U
Synonyms	4-nitrophthalimide, 4-NITROPHTHALIMIDE, 89-40-7, 5-nitroisoindoline-1,3-dione, 5-Nitro-1H-isoindole-1,3(2H)-dione, Phthalimide, 4-nitro-, 1H-Isoindole-1,3(2H)-dione, 5-nitro-, 5-Nitrophthalimide, UNII-26NA19UI3U, 5-nitro-2,3-dihydro-1H-isoindole-1,3-dione, CCRIS 4685, NSC 5394, EINECS 201-905-5, MFCD00005884, BRN 0180224, 5-nitroisoindole-1,3-dione, AI3-00701, 26NA19UI3U, ANYWGXDASKQYAD-UHFFFAOYSA-N, 5-nitro-2H-benzo[c]azoline-1,3-dione, 4-nitro-phthalimide, 5-nitro-phthalimide, AC1L1NPG, AC1Q1ZPP, 5330-05-2, DSSTox_CID_5776, 4-Nitrophthalimide, 98%, DSSTox_RID_77921, DSSTox_GSID_25776, Oprea1_866451, 5-21-11-00158 (Beilstein Handbook Reference), KSC270A1T, 1H-Isoindole-1, 5-nitro-, ARONIS24320, SCHEMBL151957, 5-nitro-isoindole-1,3-dione, ACMC-209r14, CHEMBL1607202, DTXSID1025776, SCHEMBL16303093, CTK1H0019, NSC5394, ZINC105138, KS-000000FT, KS-000046WW, NSC-5394, Tox21_200190, ANW-39302, SBB059459, STK397451, AKOS000313129, AS-9405, CS-W023085, LS-1893, MCULE-4705912515, RL05625, RTR-033185, VZ29629, CAS-89-40-7, NCGC00091620-01, NCGC00091620-02, NCGC00257744-01, AC-10997, AJ-11156, AK113961, AN-42464, CJ-00755, SC-25764, ZB003536, 5-Nitro-1H-isoindole-1,3(2H)-dione #, ST2412124, TR-033185, FT-0619295, N0247, ST45053752, X6811, 89N407, M-7596, AE-641/30105047, SR-01000397641, 1,3-Dioxo-5-nitro-1,3-dihydro-2H-isoindol-2-ide, 4-NITRO-1,2-BENZENE DICARBOXYLIC ACID,IMIDE, SR-01000397641-1, W-100375, Z56812733, F0345-4666, 4-nitrophthalimid, VUF 11207 fumarate, C8H4N2O4, 4-Nitrophthalimide, 98% 5g, CID6969, C8-H4-N2-O4, AR-1G9137, ACN-048359, 4-Nitrophthalimide, 99% - 25G 25g, 94992-54-8,

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	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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