CAS 105031-19-4 | Benzaldehyde, dinitro- | CAS Number 105031-19-4

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105031-19-4 | Benzaldehyde, dinitro-

CAS No: 105031-19-4 Catalog No: AG007FWS MDL No:

Product Description

Catalog Number:

AG007FWS

Chemical Name:

Benzaldehyde, dinitro-

CAS Number:

105031-19-4

Molecular Formula:

C7H4N2O5

Molecular Weight:

196.1171

IUPAC Name:

2,3-dinitrobenzaldehyde

InChI:

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

InChI Key:

MCIDYUGTJBLEST-UHFFFAOYSA-N

SMILES:

O=Cc1cccc(c1[N+](=O)[O-])[N+](=O)[O-]

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
Effects of varied substituents on the antibacterial activity of triazolylmethyl oxazolidinones.	Archiv der Pharmazie 20121001
Pi-Pi complexation of bupivacaine and analogues with aromatic receptors: implications for overdose remediation.	International journal of nanomedicine 20070901
Measurement of solution-phase chiral molecular recognition in the gas phase using electrospray ionization-mass spectrometry.	Analytical chemistry 20050601
[Preparation and evaluation of 3,5-dinitrobenzoyl-bonded silica gel stationary phase for high performance liquid chromatography].	Se pu = Chinese journal of chromatography 20050301