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4-Isothiocyanato-5-methyl-3-phenylisoxazole

4-Isothiocyanato-5-methyl-3-phenylisoxazole structure

CAS No:
306934-97-4
Formula:
C11H8N2OS
Chemical Name:
4-Isothiocyanato-5-methyl-3-phenylisoxazole
Synonyms:
Isoxazole,4-isothiocyanato-5-methyl-3-phenyl-;4-Isothiocyanato-5-methyl-3-phenylisoxazole

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

Molecular Weight：

216.26

Exact Mass：

216.26

DSSTox ID：

DTXSID80379842

Characteristics

Density：

1.22±0.1 g/cm3

Melting Point：

73 °C

Boiling Point：

397.9±42.0 °C(Predicted)

PKA：

-4.63±0.50

Computed Properties

Molecular Weight:216.26
XLogP3:3.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:216.03573406
Monoisotopic Mass:216.03573406
Topological Polar Surface Area:70.5
Heavy Atom Count:15
Complexity:259
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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