Free Chemical Databases
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[Synonyms]
NSC339604
[Structure]
[ Properties Computed from Structure]
Molecular Weight 374.586101 [g/mol] Molecular Formula C15H11Cl3NO2P XLogP 4.7 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 4 Tautomer Count 2 Exact Mass 372.959298 MonoIsotopic Mass 372.959298 Topological Polar Surface Area 46.2 Heavy Atom Count 22 Formal Charge 0 Complexity 457 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: 1-di(phenyl)phosphoryl-N-(1,2,2-trichloroethenyl)formamide
Canonical SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(=O)NC(=C(Cl)Cl)Cl
InChI: InChI=1/C15H11Cl3NO2P/c16-13(17)14(18)19-15(20)22(21,
11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,19,20)/f/h19H
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