4-(trifluoromethylsulfonylamino)benzoic acid
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4-(trifluoromethylsulfonylamino)benzoic acid
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CAS No:
5433-54-5
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Formula:
C8H6F3NO4S
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Chemical Name:
4-(trifluoromethylsulfonylamino)benzoic acid
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Synonyms:
4-{[(trifluoromethyl)sulfonyl]amino}benzoic acid;5433-54-5;4-(trifluoromethylsulfonylamino)benzoic acid;4-trifluoromethanesulfonamidobenzoic acid;N-(4-carboxyphenyl)trifluoromethanesulfonamide;NSC7172;4-(trifluoromethylsulfonamido)benzoic acid;CHEMBL130601;SCHEMBL7279576;DTXSID50278414;NSC-7172;ZINC1631380;NE15246;4-Trifluoromethanesulfonylamino-benzoic acid;Benzoic acid, 4-[[(trifluoromethyl)sulfonyl]amino]-
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CAS No:
4-(trifluoromethylsulfonylamino)benzoic acid Basic Attributes
269.20 g/mol
268.99696333 g/mol
7172
DTXSID50278414
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:269.20
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:268.99696333
Monoisotopic Mass:268.99696333
Topological Polar Surface Area:91.8
Heavy Atom Count:17
Complexity:379
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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