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1-fluoro-6-isothiocyanatohexane

1-fluoro-6-isothiocyanatohexane structure

CAS No:
334-52-1
Formula:
C7H12FNS
Chemical Name:
1-fluoro-6-isothiocyanatohexane
Synonyms:
6-Fluor-hexylisothiocyanat; ISOTHIOCYANIC ACID,6-FLUOROHEXYL ESTER; 1-Fluor-6-isothiocyanato-hexan; 6-fluoro-hexyl isothiocyanate;

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1-fluoro-6-isothiocyanatohexane Basic Attributes

Molecular Weight：

161.24000

Exact Mass：

161.06744872 g/mol

DSSTox ID：

DTXSID30187035

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

2.61910

Density：

0.99g/cm3

Boiling Point：

235.5ºC

Flash Point：

96.2ºC

Refractive Index：

1.47

Computed Properties

Molecular Weight:161.24
XLogP3:3.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:161.06744872
Monoisotopic Mass:161.06744872
Topological Polar Surface Area:44.4
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-fluoro-6-isothiocyanatohexane

Basic Attributes
Characteristics
Computed Properties

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