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129689-28-7

129689-28-7 structural image
Product Name: ICI D7114
Formula: C22H31ClN2O6
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Environment
GHS09
GHS Hazard Statements H400:Hazardous to the aquatic environment, acute hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 454.9 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 15
Exact Mass 454.1870644 g/mol
Monoisotopic Mass 454.1870644 g/mol
Topological Polar Surface Area 98.3 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 439
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes