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NSC138760 N-(2,4,7-trichloro-9H-fluoren-9-yl)acetamide,Canonical SMILE

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摘 要:NSC138760 N-(2,4,7-trichloro-9H-fluoren-9-yl)acetamide,Canonical SMILES: CC(=O)NC1C2=CC(=CC(=C2C3=C1C=C(C=C3)Cl)Cl)Cl,InChI: InChI=1/C15H10Cl3NO/c1-7(20)19-15-11-4-8(16)2-3-10(11)14-12(15)5-9(17)6-,13(14)18/h2-6,15H,1H3,(H,19,20)/f/h19H,Molecular Wei
[Synonyms]
NSC138760
[Structure]
NSC138760 N-(2,4,7-trichloro-9H-fluoren-9-yl)acetamide,Canonical SMILE

[ Properties Computed from Structure]
Molecular Weight326.605 [g/mol]
Molecular FormulaC15H10Cl3NO
XLogP4.8
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count1
Tautomer Count2
Exact Mass324.982797
MonoIsotopic Mass324.982797
Topological Polar Surface Area29.1
Heavy Atom Count20
Formal Charge0
Complexity391
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(2,4,7-trichloro-9H-fluoren-9-yl)acetamide
Canonical SMILES: CC(=O)NC1C2=CC(=CC(=C2C3=C1C=C(C=C3)Cl)Cl)Cl
InChI: InChI=1/C15H10Cl3NO/c1-7(20)19-15-11-4-8(16)2-3-10(11)14-12(15)5-9(17)6-
13(14)18/h2-6,15H,1H3,(H,19,20)/f/h19H

 
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