Home Halogens 1,2,4-Oxadiazol-5(4H)-one, 3-[4-[(2-aminoethyl)amino]-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-, hydrochloride (1

1,2,4-Oxadiazol-5(4H)-one, 3-[4-[(2-aminoethyl)amino]-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-, hydrochloride (1

CAS No.:
1204669-67-9
Catalog Number:
AG008TKY
Molecular Formula:
C12H11BrClFN6O3
Molecular Weight:
421.6095
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Product Description
Catalog Number:
AG008TKY
Chemical Name:
1,2,4-Oxadiazol-5(4H)-one, 3-[4-[(2-aminoethyl)amino]-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-, hydrochloride (1
CAS Number:
1204669-67-9
Molecular Formula:
C12H11BrClFN6O3
Molecular Weight:
421.6095
MDL Number:
MFCD28405062
IUPAC Name:
3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;hydrochloride
InChI:
InChI=1S/C12H10BrFN6O3.ClH/c13-7-5-6(1-2-8(7)14)20-11(19-22-12(20)21)9-10(16-4-3-15)18-23-17-9;/h1-2,5H,3-4,15H2,(H,16,18);1H
InChI Key:
HWYPORXMNMOVEE-UHFFFAOYSA-N
SMILES:
NCCNc1nonc1c1noc(=O)n1c1ccc(c(c1)Br)F.Cl
Properties
Complexity:
484  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.975g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
421.611g/mol
Monoisotopic Mass:
419.975g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties