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885953-67-3 | 2-[3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]ETHANAMINE
CAS No: 885953-67-3 Catalog No: AG004BLP MDL No:MFCD06738202
Product Description
Catalog Number:
AG004BLP
Chemical Name:
2-[3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]ETHANAMINE
CAS Number:
885953-67-3
Molecular Formula:
C10H10ClN3O
Molecular Weight:
223.6589
MDL Number:
MFCD06738202
IUPAC Name:
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
InChI:
InChI=1S/C10H10ClN3O/c11-8-3-1-7(2-4-8)10-13-9(5-6-12)15-14-10/h1-4H,5-6,12H2
InChI Key:
WSMYALRGSVSHQK-UHFFFAOYSA-N
SMILES:
NCCc1onc(n1)c1ccc(cc1)Cl
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.66g/mol
Monoisotopic Mass:
223.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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