5-(Trifluoromethyl)-1-benzothiophene-2-carboxylic acid
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5-(Trifluoromethyl)-1-benzothiophene-2-carboxylic acid
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CAS No:
244126-64-5
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Formula:
C10H5F3O2S
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Chemical Name:
5-(Trifluoromethyl)-1-benzothiophene-2-carboxylic acid
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Synonyms:
5-(trifluoromethyl)benzothiophene-2-carboxylic Acid; 5-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid;
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CAS No:
5-(Trifluoromethyl)-1-benzothiophene-2-carboxylic acid Basic Attributes
246.20600
245.99623506
DTXSID00382414
2934999090
Safety Information
Xi
|Warning|H302+H312+H332 (98.73%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 158 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:246.21
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:245.99623506
Monoisotopic Mass:245.99623506
Topological Polar Surface Area:65.5
Heavy Atom Count:16
Complexity:292
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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