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Home > Encyclopedia > 2-(4-Isocyanatophenyl)pyrimidine

2-(4-Isocyanatophenyl)pyrimidine

2-(4-Isocyanatophenyl)pyrimidine structure

2-(4-Isocyanatophenyl)pyrimidine 

structure
  • CAS No:

    216059-84-6

  • Formula:

    C11H7N3O

  • Chemical Name:

    2-(4-Isocyanatophenyl)pyrimidine

  • Synonyms:

    2-(4-Isocyanatophenyl)pyrimidine;SCHEMBL8116652;4-pyrimidin-2-ylbenzenisocyanate;CTK4E7276;DTXSID30640271;4-(Pyrimidin-2-yl)phenylisocyanate;Pyrimidine,2-(4-isocyanatophenyl)-;SBB092146;ZINC12370548;AKOS006223646

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

2-(4-Isocyanatophenyl)pyrimidine Basic Attributes

197.19278

197.05900

DTXSID30640271

2933599090

Characteristics

55.2

2.11090

1.2g/cm3

85.5 °C

246.4ºC at 760mmHg

102.8ºC

1.627

Safety Information

22

C,Xn

Harmful/Corrosive/Lachrymatory/Moisture Sensitive

Computed Properties

Molecular Weight:197.19
XLogP3:2.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:197.058911855
Monoisotopic Mass:197.058911855
Topological Polar Surface Area:55.2
Heavy Atom Count:15
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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