CAS 16588-34-4 | Benzaldehyde, 4-chloro-3-nitro- | CAS Number 16588-34-4

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Aldehydes > 16588-34-4

16588-34-4 | Benzaldehyde, 4-chloro-3-nitro-

CAS No: 16588-34-4 Catalog No: AG001WDQ MDL No:MFCD00007078

Product Description

Catalog Number:

AG001WDQ

Chemical Name:

Benzaldehyde, 4-chloro-3-nitro-

CAS Number:

16588-34-4

Molecular Formula:

C7H4ClNO3

Molecular Weight:

185.5646

MDL Number:

MFCD00007078

IUPAC Name:

4-chloro-3-nitrobenzaldehyde

InChI:

InChI=1S/C7H4ClNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H

InChI Key:

HETBKLHJEWXWBM-UHFFFAOYSA-N

SMILES:

O=Cc1ccc(c(c1)[N+](=O)[O-])Cl

EC Number:

240-645-7

UNII:

389H8733F1

NSC Number:

68097

Properties

Complexity:

192

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

184.988g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

185.563g/mol

Monoisotopic Mass:

184.988g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
FT-IR, FT-Raman spectra, NBO, HOMO-LUMO and thermodynamic functions of 4-chloro-3-nitrobenzaldehyde based on ab initio HF and DFT calculations.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121201
Nucleophilic catalysis of acylhydrazone equilibration for protein-directed dynamic covalent chemistry.	Nature chemistry 20100601
Substrate specificity of mouse aldo-keto reductase AKR7A5.	Chemico-biological interactions 20030201
Nitrobenzene compounds inhibit expression of VCAM-1.	Bioorganic & medicinal chemistry letters 20010723