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2-Methyl 5-borono-2-thiophenecarboxylate

2-Methyl 5-borono-2-thiophenecarboxylate structure

CAS No:
876189-21-8
Formula:
C6H7BO4S
Chemical Name:
2-Methyl 5-borono-2-thiophenecarboxylate
Synonyms:
2-Thiophenecarboxylic acid,5-borono-,2-methyl ester;2-Methyl 5-borono-2-thiophenecarboxylate;5-Methoxycarbonyl-2-thiopheneboronic acid;5-(Methoxycarbonyl)thien-2-ylboronic acid;[5-(Methoxycarbonyl)thiophen-2-yl]boronic acid

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2-Methyl 5-borono-2-thiophenecarboxylate Basic Attributes

Molecular Weight：

185.99300

Exact Mass：

185.99

DSSTox ID：

DTXSID40469233

HScode：

2934999090

Characteristics

PSA：

95.00000

XLogP3：

-0.78550

Density：

1.397g/cm3

Boiling Point：

386.725ºC at 760 mmHg

Flash Point：

187.685ºC

Refractive Index：

1.552

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+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:186.00
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:186.0158100
Monoisotopic Mass:186.0158100
Topological Polar Surface Area:95
Heavy Atom Count:12
Complexity:175
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Methyl 5-borono-2-thiophenecarboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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