Product name:Clofenoxyde
CAS No.:3030-53-3
Synonyms: stamycil;CB-2087;
Properties Computed from Structure:
Molecular Weight 323.17068 [g/mol]
Molecular Formula C16H12Cl2O3
XLogP 3.7
H-Bond Donor 0
H-Bond Acceptor 3
Rotatable Bond Count 6
Tautomer Count 3
Exact Mass 322.01635
MonoIsotopic Mass 322.01635
Topological Polar Surface Area 43.4
Heavy Atom Count 21
Formal Charge 0
Complexity 323
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-chloro-1-[4-[4-(2-chloroacetyl)phenoxy]phenyl]ethanone
Canonical SMILES: C1=CC(=CC=C1C(=O)CCl)OC2=CC=C(C=C2)C(=O)CCl
InChI: InChI=1/C16H12Cl2O3/c17-9-15(19)11-1-5-13(6-2-11)21-14-7-3-12(4-8-14)16
(20)10-18/h1-8H,9-10H2