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Home Aldehydes 4-Chloro-3-nitrobenzaldehyde

4-Chloro-3-nitrobenzaldehyde

CAS No.:
16588-34-4
Catalog Number:
AG001WDQ
Molecular Formula:
C7H4ClNO3
Molecular Weight:
185.5646
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$144
- +
500g
98%
In Stock USA
United States
$519
- +
Product Description
Catalog Number:
AG001WDQ
Chemical Name:
4-Chloro-3-nitrobenzaldehyde
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.988g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.563g/mol
Monoisotopic Mass:
184.988g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties