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3-methyl-4,5-diphenyl-4,5-didydro-isoxazole

3-methyl-4,5-diphenyl-4,5-didydro-isoxazole structure

CAS No:
75115-00-3
Formula:
C16H13NO
Chemical Name:
3-methyl-4,5-diphenyl-4,5-didydro-isoxazole
Synonyms:
3-methyl -4,5-diphenyl-4,5-didydro-isoxazole;Parecoxib Sodium ImpurityM;3-methyl-4,5-diphenylisoxazole;Parecoxib impurity 12/3-methyl-4,5-diphenylisoxazole;Parecoxib Sodium Impurity 38;Parecoxib sodium Impurity 45;Parecoxib Sodium impurity IV-1;Parecoxib Sodium-27

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3-methyl-4,5-diphenyl-4,5-didydro-isoxazole Basic Attributes

Molecular Weight：

235.28

Exact Mass：

235.1

Characteristics

PSA：

26.03

XLogP3：

4.317

Density：

1.108±0.06 g/cm3

Melting Point：

93-94 °C

Boiling Point：

338.0±21.0 °C(Predicted)

PKA：

-2.68±0.50

Computed Properties

Molecular Weight:235.28
XLogP3:4.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:235.099714038
Monoisotopic Mass:235.099714038
Topological Polar Surface Area:26
Heavy Atom Count:18
Complexity:256
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

75115-04-7

75115-00-3

Suppliers(7)

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Guide of 3-methyl-4,5-diphenyl-4,5-didydro-isoxazole

Basic Attributes
Characteristics
Computed Properties
Synthesis Route

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