Free Chemical Databases
-
[Synonyms]
NSC114673
[Structure]
[ Properties Computed from Structure]
Molecular Weight 513.92939 [g/mol] Molecular Formula C15H7Br3F3NO XLogP 6 H-Bond Donor 1 H-Bond Acceptor 4 Rotatable Bond Count 1 Tautomer Count 2 Exact Mass 512.80094 MonoIsotopic Mass 510.802986 Topological Polar Surface Area 29.1 Heavy Atom Count 23 Formal Charge 0 Complexity 475 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2,2,2-trifluoro-N-(1,3,7-tribromo-9H-fluoren-2-yl)acetamide
Canonical SMILES: C1C2=C(C=CC(=C2)Br)C3=CC(=C(C(=C31)Br)NC(=O)C(F)(F)F)Br
InChI: InChI=1/C15H7Br3F3NO/c16-7-1-2-8-6(3-7)4-10-9(8)5-11(17)13(12(10)18)22-
14(23)15(19,20)21/h1-3,5H,4H2,(H,22,23)/f/h22H
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