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3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide

3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide structure

CAS No:
175204-42-9
Formula:
C11H8ClFN2OS
Chemical Name:
3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide
Synonyms:
4-Isoxazolecarbothioamide,3-(2-chloro-6-fluorophenyl)-5-methyl-;3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide

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3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide Basic Attributes

Molecular Weight：

270.71

Exact Mass：

270.71

DSSTox ID：

DTXSID90381719

HScode：

2934999090

Characteristics

PSA：

84.1

XLogP3：

3.77700

Density：

1.368g/cm3

Melting Point：

176 °C

Boiling Point：

252.8ºC at 760 mmHg

Flash Point：

106.7ºC

Refractive Index：

1.478

Safety Information

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S36-S37-S39

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

Computed Properties

Molecular Weight:270.71
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:270.0029899
Monoisotopic Mass:270.0029899
Topological Polar Surface Area:84.1
Heavy Atom Count:17
Complexity:307
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide

SDS

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