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Home > Encyclopedia > Benzonitrile, 4-(2-chloro-1-hydroxyethyl)- (9CI)

Benzonitrile, 4-(2-chloro-1-hydroxyethyl)- (9CI)

Benzonitrile, 4-(2-chloro-1-hydroxyethyl)- (9CI) structure

Benzonitrile, 4-(2-chloro-1-hydroxyethyl)- (9CI) 

structure
  • CAS No:

    16508-11-5

  • Formula:

    C9H8ClNO

  • Chemical Name:

    Benzonitrile, 4-(2-chloro-1-hydroxyethyl)- (9CI)

  • Synonyms:

    4-(2-Chloro-1-hydroxyethyl)benzonitrile;4-(2-CHLORO-1-HYDROXYETHYL)-BENZONITRILE;SCHEMBL7105483;DTXSID00596670;AKOS017516335;4-(1-Hydroxy-2-chloroethyl)benzonitrile;J3.562.759F

Benzonitrile, 4-(2-chloro-1-hydroxyethyl)- (9CI) Basic Attributes

181.61892

181.029

DTXSID00596670

Characteristics

44

1.4

1.27±0.1 g/cm3(Predicted)

346.3±32.0 °C(Predicted)

Computed Properties

Molecular Weight:181.62
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:181.0294416
Monoisotopic Mass:181.0294416
Topological Polar Surface Area:44
Heavy Atom Count:12
Complexity:178
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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