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76877-34-4

76877-34-4 structural image
Product Name: 7-Diethylamino-3-[4-(iodoacetamido)phenyl]-4-methylcoumarin
Formula: C22H23IN2O3
Synonyms: DCIA
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H413:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 490.3 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 490.07534 g/mol
Monoisotopic Mass 490.07534 g/mol
Topological Polar Surface Area 58.6 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 609
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
Compound Is Canonicalized Yes