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Home > Encyclopedia > Ethanone, 2-bromo-1-[5-(hydroxymethyl)-3-isoxazolyl]- (9CI)

Ethanone, 2-bromo-1-[5-(hydroxymethyl)-3-isoxazolyl]- (9CI)

Ethanone, 2-bromo-1-[5-(hydroxymethyl)-3-isoxazolyl]- (9CI) structure

Ethanone, 2-bromo-1-[5-(hydroxymethyl)-3-isoxazolyl]- (9CI) 

structure
  • CAS No:

    104776-72-9

  • Formula:

    C6H6BrNO3

  • Chemical Name:

    Ethanone, 2-bromo-1-[5-(hydroxymethyl)-3-isoxazolyl]- (9CI)

  • Synonyms:

    2-Bromo-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone;2-Bromo-1-(5-(hydroxymethyl)isoxazol-3-yl)ethanone;SCHEMBL10517379;ZINC34370756

Ethanone, 2-bromo-1-[5-(hydroxymethyl)-3-isoxazolyl]- (9CI) Basic Attributes

220.02074

218.953

Characteristics

63.3

0.3

1.774±0.06 g/cm3(Predicted)

160 °C(Press: 0.3 Torr)

Computed Properties

Molecular Weight:220.02
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:218.95311
Monoisotopic Mass:218.95311
Topological Polar Surface Area:63.3
Heavy Atom Count:11
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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