CAS 528-75-6 | 2,4-Dinitrobenzaldehyde | CAS Number 528-75-6

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528-75-6 | 2,4-Dinitrobenzaldehyde

CAS No: 528-75-6 Catalog No: AG003FUX MDL No:MFCD00013376

Product Description

Catalog Number:

AG003FUX

Chemical Name:

2,4-Dinitrobenzaldehyde

CAS Number:

528-75-6

Molecular Formula:

C7H4N2O5

Molecular Weight:

196.1171

MDL Number:

MFCD00013376

IUPAC Name:

2,4-dinitrobenzaldehyde

InChI:

InChI=1S/C7H4N2O5/c10-4-5-1-2-6(8(11)12)3-7(5)9(13)14/h1-4H

InChI Key:

ZILXIZUBLXVYPI-UHFFFAOYSA-N

SMILES:

O=Cc1ccc(cc1N(=O)=O)N(=O)=O

EC Number:

208-440-7

UNII:

ZAC919YU3Z

NSC Number:

36948

Properties

Complexity:

256

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.012g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.118g/mol

Monoisotopic Mass:

196.012g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

109A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
1-[2-(2,4-Dinitro-benzyl-ideneamino)phen-yl]-3-phenyl-thio-urea.	Acta crystallographica. Section E, Structure reports online 20091001
Accurate determinations of the extent to which the SE2' reactions of allyl-, allenyl- and propargylsilanes are stereospecifically anti.	Organic & biomolecular chemistry 20040307
Reaction of vinylcarbenoids with benzaldehydes: formation of vinylcarbonyl ylides followed by ring closure to oxiranes and dihydrofurans.	The Journal of organic chemistry 20010810