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4-Isocyanato-3-methyl-5-phenylisoxazole

4-Isocyanato-3-methyl-5-phenylisoxazole structure

CAS No:
352018-89-4
Formula:
C11H8N2O2
Chemical Name:
4-Isocyanato-3-methyl-5-phenylisoxazole
Synonyms:
Isoxazole,4-isocyanato-3-methyl-5-phenyl-;4-Isocyanato-3-methyl-5-phenylisoxazole;3-Methyl-5-phenylisoxazol-4-yl isocyanate

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4-Isocyanato-3-methyl-5-phenylisoxazole Basic Attributes

Molecular Weight：

200.19

Exact Mass：

200.19

DSSTox ID：

DTXSID70380149

Characteristics

Density：

1.21±0.1 g/cm3

Melting Point：

79 °C

Boiling Point：

347.7±30.0 °C(Predicted)

PKA：

-3.73±0.50

Safety Information

Transport codes：

2206

hazard class code：

20/21/22-36/37/38-22

safety instructions：

26-36/37/39

Marks：

Computed Properties

Molecular Weight:200.19
XLogP3:3.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:200.058577502
Monoisotopic Mass:200.058577502
Topological Polar Surface Area:55.5
Heavy Atom Count:15
Complexity:257
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Isocyanato-3-methyl-5-phenylisoxazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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