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1201-68-9 | 1,2,4-Oxadiazole, 3-(chloromethyl)-5-phenyl-
CAS No: 1201-68-9 Catalog No: AG000QAY MDL No:MFCD00084968
Product Description
Catalog Number:
AG000QAY
Chemical Name:
1,2,4-Oxadiazole, 3-(chloromethyl)-5-phenyl-
CAS Number:
1201-68-9
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
MDL Number:
MFCD00084968
IUPAC Name:
3-(chloromethyl)-5-phenyl-1,2,4-oxadiazole
InChI:
InChI=1S/C9H7ClN2O/c10-6-8-11-9(13-12-8)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
VEIXFEJMHJPUBS-UHFFFAOYSA-N
SMILES:
ClCc1noc(n1)c1ccccc1
NSC Number:
184821
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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