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28923-80-0 | 1,3,4-Oxadiazole, 2-[[(2-chlorophenyl)methyl]thio]-5-propyl-
CAS No: 28923-80-0 Catalog No: AG002X3Z MDL No:
Product Description
Catalog Number:
AG002X3Z
Chemical Name:
1,3,4-Oxadiazole, 2-[[(2-chlorophenyl)methyl]thio]-5-propyl-
CAS Number:
28923-80-0
Molecular Formula:
C12H13ClN2OS
Molecular Weight:
268.7624
IUPAC Name:
2-[(2-chlorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole
InChI:
InChI=1S/C12H13ClN2OS/c1-2-5-11-14-15-12(16-11)17-8-9-6-3-4-7-10(9)13/h3-4,6-7H,2,5,8H2,1H3
InChI Key:
FHCUXGCMUASJQQ-UHFFFAOYSA-N
SMILES:
CCCc1nnc(o1)SCc1ccccc1Cl
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.044g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.759g/mol
Monoisotopic Mass:
268.044g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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