Free Chemical Databases
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[Synonyms]
NSC52290
[Structure]
[ Properties Computed from Structure]
Molecular Weight 318.55436 [g/mol] Molecular Formula C10H9BrClN3O2 XLogP 2.1 H-Bond Donor 3 H-Bond Acceptor 3 Rotatable Bond Count 2 Tautomer Count 5 Exact Mass 316.956667 MonoIsotopic Mass 316.956667 Topological Polar Surface Area 70.2 Heavy Atom Count 17 Formal Charge 0 Complexity 329 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 5-[(4-bromo-2-chlorophenyl)amino]-1,3-diazinane-2,4-dione
Canonical SMILES: C1C(C(=O)NC(=O)N1)NC2=C(C=C(C=C2)Br)Cl
InChI: InChI=1/C10H9BrClN3O2/c11-5-1-2-7(6(12)3-5)14-8-4-13-10(17)15-9(8)16/h1-
3,8,14H,4H2,(H2,13,15,16,17)/f/h13,15H
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