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1228878-58-7 | 1,3,4-Oxadiazole-2-ethanamine, 5-(4-fluorophenyl)-, hydrochloride (1:1)
CAS No: 1228878-58-7 Catalog No: AG000JO3 MDL No:
Product Description
Catalog Number:
AG000JO3
Chemical Name:
1,3,4-Oxadiazole-2-ethanamine, 5-(4-fluorophenyl)-, hydrochloride (1:1)
CAS Number:
1228878-58-7
Molecular Formula:
C10H11ClFN3O
Molecular Weight:
243.6652
IUPAC Name:
2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
InChI:
InChI=1S/C10H10FN3O.ClH/c11-8-3-1-7(2-4-8)10-14-13-9(15-10)5-6-12;/h1-4H,5-6,12H2;1H
InChI Key:
HMWBGYYFAZGMLE-UHFFFAOYSA-N
SMILES:
NCCc1nnc(o1)c1ccc(cc1)F.Cl
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.666g/mol
Monoisotopic Mass:
243.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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