2,4-Dinitrobenzaldoxime

CAT: 0127-OR3936-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR3936-01Size:1 g

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CAS Number

3236-33-7

MDL Number

MFCD01070627

Purity

=95%

Smiles

O\N=C\c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

Chemical Information

2,4-Dinitrobenzaldoxime

CAS Number	3236-33-7
PubChem CID	9561258
IUPAC Name	(NE)-N-[(2,4-dinitrophenyl)methylidene]hydroxylamine
Molecular Formula	C7H5N3O5
Molecular Weight	211.13
XLogP	1.2
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	281

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])/C=N/O

InChI

InChI=1S/C7H5N3O5/c11-8-4-5-1-2-6(9(12)13)3-7(5)10(14)15/h1-4,11H/b8-4+

InChIKey

YVCGJBIQVLGPRJ-XBXARRHUSA-N

Chemical Structure

2D Structure

CAS: 3236-33-7

CID: 9561258

Formula: C7H5N3O5

MW: 211.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.13
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	211.02292027
Monoisotopic Mass	211.02292027
Topological Polar Surface Area	124 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	281
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC1008376-01	2,2,2-Trifluoroethyl 4,4,4-trifluorobutyrate
OR1004938-01	2,2',4,4'-Tetranitrodiphenylmethane
OR948311	2,2,4,4-Tetramethylcyclopentanone
OR1055271-01	2,2,4,4-Tetrachlorodibenzylether
OR1026768-01	2,2,4,4-Tetramethylpentane
PC450330	2,2,3,3,4,4,4-Heptafluorobutyl 2,2,3,4,4,4-hexafluorobutyl carbonate
PC107392	4- (2,2,3,4,4,4-Hexafluorobutoxy) -N- (2,2,2-trifluoroethyl) aniline
PC106859	2,2,3,4,4,4-Hexafluorobutoxybenzene
PC56226	2- (2,2,3,4,4,4-Hexafluorobutoxy) ethanol
OR84284-01	4,4',4''-Trimethyl-2,2':6',2''-terpyridine

Catalog	Name
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone
290091-01	2,2',4,4'-Tetranitrodiphenylmethane
290090-01	2,2',4,4'-Tetranitrobenzophenone
AR-O01033-01	2,2,4,4-Tetramethyloctane
AR-M03599-01	2,2,4,4-Tetrachlorodibenzylether
FT55663-01	2,2',4,4'-tetrahydroxybenzophenone
T3001	2,2’,4,4’-Tetranitrodiphenylmethane
sc-265948	2,2,4,4-Tetramethylpentane
FT66823-01	2,2',4,4'-Tetramethylbenzophenone
T3000	2,2’,4,4’-Tetranitrobenzophenone