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Home > Encyclopedia > Benzonitrile, 4-(4-pyrimidinyl)- (9CI)

Benzonitrile, 4-(4-pyrimidinyl)- (9CI)

Benzonitrile, 4-(4-pyrimidinyl)- (9CI) structure

Benzonitrile, 4-(4-pyrimidinyl)- (9CI) 

structure
  • CAS No:

    879063-33-9

  • Formula:

    C11H7N3

  • Chemical Name:

    Benzonitrile, 4-(4-pyrimidinyl)- (9CI)

  • Synonyms:

    4-(pyrimidin-4-yl)benzonitrile;4-pyrimidin-4-ylbenzonitrile;CTK7C7719;HMS1701C11;ZINC1437388;4-(4-CYANOPHENYL)PYRIMIDINE;AKOS000805635

Benzonitrile, 4-(4-pyrimidinyl)- (9CI) Basic Attributes

181.19338

181.06400

Characteristics

49.57000

2.01528

Computed Properties

Molecular Weight:181.19
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:181.063997236
Monoisotopic Mass:181.063997236
Topological Polar Surface Area:49.6
Heavy Atom Count:14
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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