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89197-00-2

89197-00-2 structural image
Product Name: EFAROXAN HYDROCHLORIDE
Formula: C13H17ClN2O
Synonyms: 2-Ethyl-2-(imidazolin-2-yl)-2,3-dihydrobenzofuran hydrochloride;RX 821037A
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 149.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
Precautionary Statement Codes P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 252.74 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 252.1029409 g/mol
Monoisotopic Mass 252.1029409 g/mol
Topological Polar Surface Area 33.6 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 302
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes