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1435804-49-1 | 3-(3-(4-Chlorobenzyl)-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride
CAS No: 1435804-49-1 Catalog No: AG01FLSU MDL No:MFCD23136068
Product Description
Catalog Number:
AG01FLSU
Chemical Name:
3-(3-(4-Chlorobenzyl)-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride
CAS Number:
1435804-49-1
Molecular Formula:
C12H15Cl2N3O
Molecular Weight:
288.1730
MDL Number:
MFCD23136068
IUPAC Name:
3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
InChI:
InChI=1S/C12H14ClN3O.ClH/c13-10-5-3-9(4-6-10)8-11-15-12(17-16-11)2-1-7-14;/h3-6H,1-2,7-8,14H2;1H
InChI Key:
XHKFLCSJYWVAFE-UHFFFAOYSA-N
SMILES:
NCCCc1onc(n1)Cc1ccc(cc1)Cl.Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.172g/mol
Monoisotopic Mass:
287.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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