Ethyl S-4-chloro-3-hydroxybutyrate


Chemical Name: Ethyl S-4-chloro-3-hydroxybutyrate
CAS Number: 86728-85-0
Product Number: AG003CMJ(AGN-PC-0WAD9P)
Synonyms:
MDL No: MFCD00211241
Molecular Formula: C6H11ClO3
Molecular Weight: 166.6027

Identification/Properties


Properties
BP:
93-95°C at 5 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.453(lit.)
Computed Properties
Molecular Weight:
166.601g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
166.04g/mol
Monoisotopic Mass:
166.04g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
105
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


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

NMR Spectrum


Other Analytical Data


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