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Home > Encyclopedia > 2,1-Benzisoxazole-3-carbonyl chloride (9CI)

2,1-Benzisoxazole-3-carbonyl chloride (9CI)

2,1-Benzisoxazole-3-carbonyl chloride (9CI) structure

2,1-Benzisoxazole-3-carbonyl chloride (9CI) 

structure
  • CAS No:

    535992-89-3

  • Formula:

    C8H4ClNO2

  • Chemical Name:

    2,1-Benzisoxazole-3-carbonyl chloride (9CI)

  • Synonyms:

    2,1-Benzoxazole-3-carbonyl chloride;2,1-BENZISOXAZOLE-3-CARBONYL CHLORIDE;2,1-Benzisoxazole-3-carbonyl chlorid;SCHEMBL4129795;CTK4J8456;DTXSID10610699;ZINC95931587;benzo[c]isoxazole-3-carbonyl chloride

2,1-Benzisoxazole-3-carbonyl chloride (9CI) Basic Attributes

181.57586

180.99300

DTXSID10610699

2934999090

Characteristics

43.10000

2.20680

1.441±0.06 g/cm3(Predicted)

Computed Properties

Molecular Weight:181.57
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:180.9930561
Monoisotopic Mass:180.9930561
Topological Polar Surface Area:43.1
Heavy Atom Count:12
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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