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3-(CHLOROMETHYL)-5-ISOBUTYL-1,2,4-OXADIAZOLE

3-(CHLOROMETHYL)-5-ISOBUTYL-1,2,4-OXADIAZOLE structure

CAS No:
189130-85-6
Formula:
C7H11ClN2O
Chemical Name:
3-(CHLOROMETHYL)-5-ISOBUTYL-1,2,4-OXADIAZOLE
Synonyms:
3-(chloromethyl)-5-isobutyl-1,2,4-oxadiazole;3-(chloromethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole;SCHEMBL6243513;CTK4E0044;DTXSID20592896;ALBB-004228;STK503017;ZINC12505763;AKOS005171312;MCULE-1842792964

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3-(CHLOROMETHYL)-5-ISOBUTYL-1,2,4-OXADIAZOLE Basic Attributes

Molecular Weight：

174.63

Exact Mass：

174.05600

DSSTox ID：

DTXSID20592896

HScode：

2934999090

Characteristics

PSA：

38.9

XLogP3：

2.00690

Density：

1.144g/cm3

Boiling Point：

246.7ºC at 760 mmHg

Flash Point：

103ºC

Refractive Index：

1.479

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:174.63
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:174.0559907
Monoisotopic Mass:174.0559907
Topological Polar Surface Area:38.9
Heavy Atom Count:11
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(CHLOROMETHYL)-5-ISOBUTYL-1,2,4-OXADIAZOLE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(CHLOROMETHYL)-5-ISOBUTYL-1,2,4-OXADIAZOLE

SDS

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