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4'-ISOCYANATOBENZO-15-CROWN-5

4'-ISOCYANATOBENZO-15-CROWN-5 structure

CAS No:
83935-62-0
Formula:
C15H19NO6
Chemical Name:
4'-ISOCYANATOBENZO-15-CROWN-5
Synonyms:
4'-ISOCYANATOBENZO-15-CROWN-5;4''-ISOCYANATOBENZO-15-CROWN-5 99%;4'-Isocyanatobenzo-15-crown-5,99%;1,4,7,10,13-Benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-15-isocyanato-

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4'-ISOCYANATOBENZO-15-CROWN-5 Basic Attributes

Molecular Weight：

309.31

Exact Mass：

309.12123733

DSSTox ID：

DTXSID70369151

Characteristics

PSA：

75.58000

XLogP3：

1.47490

Density：

1.2039

Melting Point：

35-39 °C

Boiling Point：

449.6°C (rough estimate)

Flash Point：

202.6ºC

Refractive Index：

1.5080 (estimate)

Safety Information

hazard class code：

36/37/38

safety instructions：

37/39-26

Marks：

Computed Properties

Molecular Weight:309.31
XLogP3:1.2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:309.12123733
Monoisotopic Mass:309.12123733
Topological Polar Surface Area:75.6
Heavy Atom Count:22
Complexity:347
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4'-ISOCYANATOBENZO-15-CROWN-5

Basic Attributes
Characteristics
Safety Information
Computed Properties

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