Cas no 1798310-28-7 (2-(5-Bromo-2-pyrimidinyl)-2-methylpropanenitrile)

2-(5-Bromo-2-pyrimidinyl)-2-methylpropanenitrile structure
1798310-28-7 structure
Product Name:2-(5-Bromo-2-pyrimidinyl)-2-methylpropanenitrile
CAS No:1798310-28-7
MF:C8H8BrN3
MW:226.073220252991
CID:5786031
PubChem ID:118141812
Update Time:2023-12-26

2-(5-Bromo-2-pyrimidinyl)-2-methylpropanenitrile Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL16796934
    • 1798310-28-7
    • 2-(5-bromopyrimidin-2-yl)-2-methylpropanenitrile
    • E70105
    • SY251644
    • EN300-1911021
    • MFCD31978052
    • 2-(5-Bromo-2-pyrimidinyl)-2-methylpropanenitrile
    • 2-Pyrimidineacetonitrile, 5-bromo-α,α-dimethyl-
    • Inchi： 1S/C8H8BrN3/c1-8(2,5-10)7-11-3-6(9)4-12-7/h3-4H,1-2H3
    • InChI Key： PHHLOVPCCHVFKV-UHFFFAOYSA-N
    • SMILES： BrC1C=NC(C(C#N)(C)C)=NC=1

Computed Properties

  • Exact Mass: 224.99016g/mol
  • Monoisotopic Mass: 224.99016g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 198
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 49.6?2

Experimental Properties

  • Density: 1.485±0.06 g/cm3(Predicted)
  • Boiling Point: 299.3±20.0 °C(Predicted)
  • pka: -0.90±0.22(Predicted)

2-(5-Bromo-2-pyrimidinyl)-2-methylpropanenitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1911021-1g
2-(5-bromopyrimidin-2-yl)-2-methylpropanenitrile
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 $1386.0 2023-09-17
Enamine
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2-(5-bromopyrimidin-2-yl)-2-methylpropanenitrile
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Enamine
EN300-1911021-0.1g
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Enamine
EN300-1911021-0.25g
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Enamine
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Enamine
EN300-1911021-1.0g
2-(5-bromopyrimidin-2-yl)-2-methylpropanenitrile
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Enamine
EN300-1911021-2.5g
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