Home Halogens 5-[chloro(phenyl)methyl]-1,2,4-oxadiazole

5-[chloro(phenyl)methyl]-1,2,4-oxadiazole

CAS No.:
1249972-62-0
Catalog Number:
AG019RS1
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
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Product Description
Catalog Number:
AG019RS1
Chemical Name:
5-[chloro(phenyl)methyl]-1,2,4-oxadiazole
CAS Number:
1249972-62-0
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
MDL Number:
MFCD14605743
IUPAC Name:
5-[chloro(phenyl)methyl]-1,2,4-oxadiazole
InChI:
InChI=1S/C9H7ClN2O/c10-8(9-11-6-12-13-9)7-4-2-1-3-5-7/h1-6,8H
InChI Key:
SOKJCVZWWMDDPH-UHFFFAOYSA-N
SMILES:
ClC(c1ncno1)c1ccccc1
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.025g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.618g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties