Free Chemical Databases
-
[Synonyms]
5-Nfdpa
5-Nitro-2-furyl-alpha,beta-dibromopropionamide
2-Furanpropanamide, alpha,beta-dibromo-5-nitro-
83186-58-7
[Structure]
[ Properties Computed from Structure]
Molecular Weight 341.94154 [g/mol] Molecular Formula C7H6Br2N2O4 XLogP 0.9 H-Bond Donor 1 H-Bond Acceptor 4 Rotatable Bond Count 3 Tautomer Count 2 Exact Mass 341.867385 MonoIsotopic Mass 339.869432 Topological Polar Surface Area 99.4 Heavy Atom Count 15 Formal Charge 0 Complexity 270 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 2 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2,3-dibromo-3-(5-nitrofuran-2-yl)propanamide
Canonical SMILES: C1=C(OC(=C1)[N+](=O)[O-])C(C(C(=O)N)Br)Br
InChI: InChI=1/C7H6Br2N2O4/c8-5(6(9)7(10)12)3-1-2-4(15-3)11(13)14/h1-2,5-6H,
(H2,10,12)/f/h10H2
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