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191277-31-3 | 3-Isoxazolidinone, 2-(4-chloro-2-butyn-1-yl)-
CAS No: 191277-31-3 Catalog No: AG002F5G MDL No:
Product Description
Catalog Number:
AG002F5G
Chemical Name:
3-Isoxazolidinone, 2-(4-chloro-2-butyn-1-yl)-
CAS Number:
191277-31-3
Molecular Formula:
C7H8ClNO2
Molecular Weight:
173.5969
IUPAC Name:
2-(4-chlorobut-2-ynyl)-1,2-oxazolidin-3-one
InChI:
InChI=1S/C7H8ClNO2/c8-4-1-2-5-9-7(10)3-6-11-9/h3-6H2
InChI Key:
VPAKRCFQHJKJBU-UHFFFAOYSA-N
SMILES:
ClCC#CCN1OCCC1=O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.024g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.596g/mol
Monoisotopic Mass:
173.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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