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5421-66-9

5421-66-9 structural image
Product Name: BISMARCK BROWN R
Formula: C21H25ClN8
Synonyms: Basic Brown 4;Vesuvine
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H303:Acute toxicity,oral
Precautionary Statement Codes P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P403:Store in a well-ventilated place.

COMPUTED DESCRIPTORS

Molecular Weight 461.4 g/mol
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 460.1657483 g/mol
Monoisotopic Mass 460.1657483 g/mol
Topological Polar Surface Area 154 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 581
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 3
Compound Is Canonicalized Yes

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