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[[[(1S,2S)-2-Isothiocyanatocyclohexyl]oxy]methyl]benzene

[[[(1S,2S)-2-Isothiocyanatocyclohexyl]oxy]methyl]benzene structure

CAS No:
737000-89-4
Formula:
C14H17NOS
Chemical Name:
[[[(1S,2S)-2-Isothiocyanatocyclohexyl]oxy]methyl]benzene
Synonyms:
Benzene,[[[(1S,2S)-2-isothiocyanatocyclohexyl]oxy]methyl]-;[[[(1S,2S)-2-Isothiocyanatocyclohexyl]oxy]methyl]benzene

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[[[(1S,2S)-2-Isothiocyanatocyclohexyl]oxy]methyl]benzene Basic Attributes

Molecular Weight：

247.36

Exact Mass：

247.36

DSSTox ID：

DTXSID10474516

Characteristics

Density：

1,106 g/cm3

Melting Point：

33-36℃

Boiling Point：

374.4±31.0 °C(Predicted)

Refractive Index：

1.5674

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2810

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Computed Properties

Molecular Weight:247.36
XLogP3:4.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:247.10308534
Monoisotopic Mass:247.10308534
Topological Polar Surface Area:53.7
Heavy Atom Count:17
Complexity:269
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [[[(1S,2S)-2-Isothiocyanatocyclohexyl]oxy]methyl]benzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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