2-(3,4-dichlorophenyl)-2-oxoacetaldehyde;hydrate


Chemical Name: 2-(3,4-dichlorophenyl)-2-oxoacetaldehyde;hydrate
CAS Number: 859775-23-8
Product Number: AG004VNZ(AGN-PC-02UT6Z)
Synonyms:
MDL No:
Molecular Formula: C8H6Cl2O3
Molecular Weight: 221.0374

Identification/Properties


Properties
MP:
82-84°C
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
221.033g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
219.969g/mol
Monoisotopic Mass:
219.969g/mol
Topological Polar Surface Area:
35.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
194
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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