AG000Q0S

120-52-5 | [(1E,4E)-4-[(benzoyloxy)imino]cyclohexa-2,5-dien-1-ylidene]amino benzoate

AG000Q0S

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CAS Number	120-52-5
Catalog Number	AG000Q0S(AGN-PC-0JL7M6)
Chemical Name	[(1E,4E)-4-[(benzoyloxy)imino]cyclohexa-2,5-dien-1-ylidene]amino benzoate
EC Number	204-403-4
IUPAC Name	[(4-benzoyloxyiminocyclohexa-2,5-dien-1-ylidene)amino] benzoate
InChI	InChI=1S/C20H14N2O4/c23-19(15-7-3-1-4-8-15)25-21-17-11-13-18(14-12-17)22-26-20(24)16-9-5-2-6-10-16/h1-14H
InChI Key	WMVSVUVZSYRWIY-UHFFFAOYSA-N
MDL Number	MFCD00045557
Molecular Formula	C20H14N2O4
Molecular Weight	346.3362
NSC Number	113483
SMILES	O=C(O/N=C1C=C/C(C=C1)=N/OC(C2=CC=CC=C2)=O)C3=CC=CC=C3
UNII	60O45GSZ5F
Synonyms	120-52-5, Rhenocure BQ, 4,4'-Dibenzoylquinone Dioxime, Vulnoc DGM, Dilbenzo P Q D, Dibenzo G-M-F, Benzoquinone O,O-dibenzoyl dioxime, Quinone dioxime dibenzoate, Dibenzoylquinone dioxime, p-Dibenzoylquinone dioxime, p-Benzoquinone dioxime dibenzoate, p-Quinone dioxime dibenzoate, 2,5-Cyclohexadiene-1,4-dione, bis(O-benzoyloxime), p,p'-Dibenzoylquinone dioxime, Benzoquinone dioxime dibenzoate, Dibenzoyl-p-benzoquinone dioxime, 1,4-Bis(benzoyloxyimino)cyclohexa-2,5-diene, 4,4-Dibenzoylquinone Dioxime, Dibenzoyl-p-quinone dioxime, UNII-60O45GSZ5F, 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime), NSC 113483, p-Benzoquinone bis(O-benzoyloxime), EINECS 204-403-4, 60O45GSZ5F, p,p'-Dibenzoyl quinone dioxime, p-Benzoquinone, bis(O-benzoyloxime), 2,5-Cyclohexadiene-1,4-dione,1,4-bis(O-benzoyloxime), [(4-benzoyloxyiminocyclohexa-2,5-dien-1-ylidene)amino] benzoate, CCRIS 8921, 1,5-diene, AC1Q5XBU, KSC511S1P, AC1L26W8, SCHEMBL2610235, CTK4B1917, KS-00000YYV, 2,4-dione, bis(O-benzoyloxime), WMVSVUVZSYRWIY-QGFZOGOGSA-N, ZINC1704220, 6543AF, MFCD00045557, NSC113483, AKOS003622789, EBD2139582, NSC-113483, AJ-30572, AK161809, AN-22826, CJ-06714, CJ-28803, Benzo-1,4-quinone bis(O-benzoyloxime) #, LS-178775, RT-001169, (1Z,4Z)-benzoquinone O,O-dibenzoyl dioxime, D0246, FT-0617030, ST24046024, C-50157, I14-44464, {4-[(benzoyloxy)imino]cyclohexa-2,5-dien-1-ylidene}amino benzoate, p-Benzoquinone bis(O-benzoyloxime); 2,5-Cyclohexadien-1,4-dione, bis(O-benzoyloxime); 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime)-, C20H14N2O4, KST-1B0076, CID67122, AR-1B7554, C20-H14-N2-O4, ACN-057440, 121613-01-2,

Complexity	564
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	346.095g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	346.342g/mol
Monoisotopic Mass	346.095g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	77.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	4.1
Hazard statements	H228-H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P261-P305+P351+P338
UN Code	UN 1325

Certificate of Analysis

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