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


Chemical Name: 2-(3,4-difluorophenyl)-2-oxoacetaldehyde;hydrate
CAS Number: 79784-34-2
Product Number: AG008LCR(AGN-PC-0KL1K8)
Synonyms:
MDL No:
Molecular Formula: C8H6F2O3
Molecular Weight: 188.1282

Identification/Properties


Computed Properties
Molecular Weight:
188.13g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
188.029g/mol
Monoisotopic Mass:
188.029g/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


NMR Spectrum


Other Analytical Data


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