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5-(Chloromethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-(Chloromethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole structure

CAS No:
721428-34-8
Formula:
C9H6ClFN2O
Chemical Name:
5-(Chloromethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
Synonyms:
1,2,4-Oxadiazole,5-(chloromethyl)-3-(4-fluorophenyl)-;5-(Chloromethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

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5-(Chloromethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole Basic Attributes

Molecular Weight：

212.61

Exact Mass：

212.61

DSSTox ID：

DTXSID80368958

HScode：

2934999090

Characteristics

PSA：

38.9

XLogP3：

2.61450

Density：

1.364±0.06 g/cm3(Predicted)

Melting Point：

31-32 °C @ Solvent: Hexane

Safety Information

Marks：

Precautionary statement(s)：

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

Hazard Statements：

H314

GHS Classification：

|Danger|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:212.61
XLogP3:2.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:212.0152687
Monoisotopic Mass:212.0152687
Topological Polar Surface Area:38.9
Heavy Atom Count:14
Complexity:188
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(Chloromethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-(Chloromethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

SDS

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