AG003LWJ

105969-98-0 | 4-Nitrophthaloxime

AG003LWJ

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CAS Number	105969-98-0
Catalog Number	AG003LWJ(AGN-PC-009IO2)
Chemical Name	4-Nitrophthaloxime
IUPAC Name	2-hydroxy-5-nitroisoindole-1,3-dione
InChI	InChI=1S/C8H4N2O5/c11-7-5-2-1-4(10(14)15)3-6(5)8(12)9(7)13/h1-3,13H
InChI Key	MKACMVMZUIQKNY-UHFFFAOYSA-N
MDL Number	MFCD01115771
Molecular Formula	C8H4N2O5
Molecular Weight	208.1278
SMILES	ON1C(=O)C2=C(C=C(C=C2)[N+]([O-])=O)C1=O
Synonyms	N-Hydroxy-4-nitrophthalimide, 105969-98-0, 4-Nitrophthaloxime, 4-nitro-N-hydroxyphthalimide, 2-hydroxy-6-nitro-1H-isoindole-1,3-dione, ACMC-2098i4, SCHEMBL3202418, CTK0G4237, DTXSID00466506, MKACMVMZUIQKNY-UHFFFAOYSA-N, ZINC5583015, ANW-15290, MFCD01115771, AKOS003628469, RTR-001212, 2-hydroxy-5-nitroisoindoline-1,3-dione, AB1010953, TR-001212, FT-0697252, 1H-Isoindole-1,3(2H)-dione, 2-hydroxy-5-nitro-, J-001515, 2-hydroxy-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione, I14-105927, 2-hydroxy-5-nitro-isoindole-1,3-dione, CID11458432, H1036,

Complexity	336
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.012g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.129g/mol
Monoisotopic Mass	208.012g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

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