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Home > Encyclopedia > 3-BROMO-4-HYDROXY-5-METHOXYPHENYLACETONITRILE

3-BROMO-4-HYDROXY-5-METHOXYPHENYLACETONITRILE

3-BROMO-4-HYDROXY-5-METHOXYPHENYLACETONITRILE structure

3-BROMO-4-HYDROXY-5-METHOXYPHENYLACETONITRILE 

structure
  • CAS No:

    81038-44-0

  • Formula:

    C9H8BrNO2

  • Chemical Name:

    3-BROMO-4-HYDROXY-5-METHOXYPHENYLACETONITRILE

  • Synonyms:

    3-Bromo-4-hydroxy-5-methoxyphenylacetonitrile;2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetonitrile;Benzeneacetonitrile, 3-bromo-4-hydroxy-5-methoxy-;SCHEMBL6897446;CTK3E7829;DTXSID10335052;ZINC2528065;0016AF;AKOS015834617;MCULE-2747675627

3-BROMO-4-HYDROXY-5-METHOXYPHENYLACETONITRILE Basic Attributes

242.072

240.97400

DTXSID10335052

2926909090

Characteristics

53.2

2.22938

145-147℃

Safety Information

UN 3439

20/21/22-36/37/38

26-36/37/39

T,Xi

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

Computed Properties

Molecular Weight:242.07
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:240.97384
Monoisotopic Mass:240.97384
Topological Polar Surface Area:53.2
Heavy Atom Count:13
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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