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1820705-98-3 | "1-(3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl)-3-(methylthio)propan-1-amine oxalate"
CAS No: 1820705-98-3 Catalog No: AG01FLS4 MDL No:MFCD28370008
Product Description
Catalog Number:
AG01FLS4
Chemical Name:
"1-(3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl)-3-(methylthio)propan-1-amine oxalate"
CAS Number:
1820705-98-3
Molecular Formula:
C14H16FN3O5S
Molecular Weight:
357.3573
MDL Number:
MFCD28370008
IUPAC Name:
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine;oxalic acid
InChI:
InChI=1S/C12H14FN3OS.C2H2O4/c1-18-7-6-10(14)12-15-11(16-17-12)8-4-2-3-5-9(8)13;3-1(4)2(5)6/h2-5,10H,6-7,14H2,1H3;(H,3,4)(H,5,6)
InChI Key:
MOTXCZCDXNPKRK-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CSCCC(c1onc(n1)c1ccccc1F)N
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.079g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
357.356g/mol
Monoisotopic Mass:
357.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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