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145694-80-0 | 1,3,4-Oxadiazole, 2-(4-fluorophenyl)-5-methyl-
CAS No: 145694-80-0 Catalog No: AG001DAX MDL No:MFCD00464532
Product Description
Catalog Number:
AG001DAX
Chemical Name:
1,3,4-Oxadiazole, 2-(4-fluorophenyl)-5-methyl-
CAS Number:
145694-80-0
Molecular Formula:
C9H7FN2O
Molecular Weight:
178.1631
MDL Number:
MFCD00464532
IUPAC Name:
2-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazole
InChI:
InChI=1S/C9H7FN2O/c1-6-11-12-9(13-6)7-2-4-8(10)5-3-7/h2-5H,1H3
InChI Key:
FZCVCPONBZDTKF-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nnc(o1)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.166g/mol
Monoisotopic Mass:
178.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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