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1245569-48-5 | (3-((4-Chlorophenoxy)methyl)-1,2,4-oxadiazol-5-yl)methanamine hydrochloride
CAS No: 1245569-48-5 Catalog No: AG01FLSS MDL No:MFCD16606056
Product Description
Catalog Number:
AG01FLSS
Chemical Name:
(3-((4-Chlorophenoxy)methyl)-1,2,4-oxadiazol-5-yl)methanamine hydrochloride
CAS Number:
1245569-48-5
Molecular Formula:
C10H11Cl2N3O2
Molecular Weight:
276.1192
MDL Number:
MFCD16606056
IUPAC Name:
[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
InChI:
InChI=1S/C10H10ClN3O2.ClH/c11-7-1-3-8(4-2-7)15-6-9-13-10(5-12)16-14-9;/h1-4H,5-6,12H2;1H
InChI Key:
CZMOMGIIFJXSEG-UHFFFAOYSA-N
SMILES:
NCc1onc(n1)COc1ccc(cc1)Cl.Cl
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.117g/mol
Monoisotopic Mass:
275.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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