1,2-Propanediol, 3-(4-chlorophenoxy)-


Chemical Name: 1,2-Propanediol, 3-(4-chlorophenoxy)-
CAS Number: 104-29-0
Product Number: AG007I5N(AGN-PC-0JK87Q)
Synonyms:
MDL No:
Molecular Formula: C9H11ClO3
Molecular Weight: 202.6348

Identification/Properties


Computed Properties
Molecular Weight:
202.634g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
202.04g/mol
Monoisotopic Mass:
202.04g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
135
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



3-(4-Chlorophenoxy)propane-1,2-diol, also known as $name$, is a versatile compound that finds extensive application in chemical synthesis. Its unique structure and properties make it a valuable building block in the creation of various organic compounds. In chemical synthesis, $name$ is commonly used as a key intermediate in the production of pharmaceuticals, agrochemicals, and other specialty chemicals. Its reactivity and functional groups allow for the formation of diverse molecular structures through various synthetic routes. Researchers and chemists utilize $name$ in the development of novel compounds with potential applications in medicine, agriculture, and materials science.