Home Halogens 3-(2-chlorophenyl)-1,2,4-oxadiazol-5-ol

3-(2-chlorophenyl)-1,2,4-oxadiazol-5-ol

CAS No.:
16672-15-4
Catalog Number:
AG01A9A8
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
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Product Description
Catalog Number:
AG01A9A8
Chemical Name:
3-(2-chlorophenyl)-1,2,4-oxadiazol-5-ol
CAS Number:
16672-15-4
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD16547699
IUPAC Name:
3-(2-chlorophenyl)-4H-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C8H5ClN2O2/c9-6-4-2-1-3-5(6)7-10-8(12)13-11-7/h1-4H,(H,10,11,12)
InChI Key:
KICRLMZFAZGWTM-UHFFFAOYSA-N
SMILES:
Oc1onc(n1)c1ccccc1Cl
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.004g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.59g/mol
Monoisotopic Mass:
196.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties