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1435804-21-9 | "3-(3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride"
CAS No: 1435804-21-9 Catalog No: AG01FLSO MDL No:MFCD23136107
Product Description
Catalog Number:
AG01FLSO
Chemical Name:
"3-(3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride"
CAS Number:
1435804-21-9
Molecular Formula:
C11H12Cl2FN3O
Molecular Weight:
292.1369
MDL Number:
MFCD23136107
IUPAC Name:
3-[3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
InChI:
InChI=1S/C11H11ClFN3O.ClH/c12-7-3-1-4-8(13)10(7)11-15-9(17-16-11)5-2-6-14;/h1,3-4H,2,5-6,14H2;1H
InChI Key:
KYVRVYJMRKSXFW-UHFFFAOYSA-N
SMILES:
NCCCc1onc(n1)c1c(F)cccc1Cl.Cl
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.034g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.135g/mol
Monoisotopic Mass:
291.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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