Home Halogens 2-(1-chloroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole

2-(1-chloroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole

CAS No.:
847837-39-2
Catalog Number:
AG019OFP
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
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Product Description
Catalog Number:
AG019OFP
Chemical Name:
2-(1-chloroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CAS Number:
847837-39-2
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
MDL Number:
MFCD07325232
IUPAC Name:
2-(1-chloroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C11H11ClN2O/c1-7-4-3-5-9(6-7)11-14-13-10(15-11)8(2)12/h3-6,8H,1-2H3
InChI Key:
CRIYFDWVUKKTIA-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1nnc(o1)C(Cl)C
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.672g/mol
Monoisotopic Mass:
222.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties