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Home> Hot Product Listed B   > Boceprevir
1817-88-5 structure

Boceprevir

Iupac Name:2-cyclohexyloxyethanol
CAS No.:1817-88-5
Molecular Weight:144.214
Molecular Formula:C7H5BRCLFO (isomer)
Names and Identifiers
Synonyms

(1R,2S,5S)-N-(4-Amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide EBP 520 Sch 503034 SCHEMBL8246983

Inchi
InChI=1S/C8H16O2/c9-6-7-10-8-4-2-1-3-5-8/h8-9H,1-7H2
InChkey
RFHPMEOKJKCEFR-UHFFFAOYSA-N
Canonical Smiles
C1CCC(CC1)OCCO
Properties
Density
1.562
Vapour
0.055mmHg at 25°C
Refractive Index
n20/D 1.4630(lit.)
Flash Point
112℃
Solubility
Slightly soluble in water
Color/Form
White to off-white amorphous powder
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1817-88-5 EC: Boceprevir ·ECHA C&L Inventory for CAS: CAS: 1817-88-5 EC: Boceprevir
Computational chemical data
  • Molecular Weight:144.214g/mol
  • Molecular Formula:C7H5BRCLFO
  • Compound Is Canonicalized:True
  • Exact Mass:144.115
  • Monoisotopic Mass:144.115
  • Complexity:77.3
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.5A^2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAABgAA AAAAAAAAAAAAAAAAAAAAAAABEAIAAAACAAAEAAADAAGAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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