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885953-52-6 | 2-[3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]ETHANAMINE
CAS No: 885953-52-6 Catalog No: AG004B33 MDL No:MFCD06738196
Product Description
Catalog Number:
AG004B33
Chemical Name:
2-[3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]ETHANAMINE
CAS Number:
885953-52-6
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD06738196
IUPAC Name:
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
InChI:
InChI=1S/C11H13N3O2/c1-15-9-4-2-8(3-5-9)11-13-10(6-7-12)16-14-11/h2-5H,6-7,12H2,1H3
InChI Key:
AQZACEUGSCZILP-UHFFFAOYSA-N
SMILES:
NCCc1onc(n1)c1ccc(cc1)OC
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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