Home Halogens methyl 4-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]butanoate

methyl 4-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]butanoate

CAS No.:
1311314-51-8
Catalog Number:
AG01AH9Y
Molecular Formula:
C8H11ClN2O3
Molecular Weight:
218.6375
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Product Description
Catalog Number:
AG01AH9Y
Chemical Name:
methyl 4-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]butanoate
CAS Number:
1311314-51-8
Molecular Formula:
C8H11ClN2O3
Molecular Weight:
218.6375
MDL Number:
MFCD18483255
IUPAC Name:
methyl 4-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]butanoate
InChI:
InChI=1S/C8H11ClN2O3/c1-13-8(12)4-2-3-7-10-6(5-9)11-14-7/h2-5H2,1H3
InChI Key:
MVVGZRZYAFESEN-UHFFFAOYSA-N
SMILES:
COC(=O)CCCc1nc(no1)CCl
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.046g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.637g/mol
Monoisotopic Mass:
218.046g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties