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1021436-47-4 | 1,2,4-Oxadiazole, 5-(chloromethyl)-3-[1-(4-fluorophenyl)cyclopropyl]-
CAS No: 1021436-47-4 Catalog No: AG0006Q5 MDL No:
Product Description
Catalog Number:
AG0006Q5
Chemical Name:
1,2,4-Oxadiazole, 5-(chloromethyl)-3-[1-(4-fluorophenyl)cyclopropyl]-
CAS Number:
1021436-47-4
Molecular Formula:
C12H10ClFN2O
Molecular Weight:
252.6720
IUPAC Name:
5-(chloromethyl)-3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
InChI:
InChI=1S/C12H10ClFN2O/c13-7-10-15-11(16-17-10)12(5-6-12)8-1-3-9(14)4-2-8/h1-4H,5-7H2
InChI Key:
QFIIXHHQEQZXGF-UHFFFAOYSA-N
SMILES:
ClCc1onc(n1)C1(CC1)c1ccc(cc1)F
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.673g/mol
Monoisotopic Mass:
252.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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