3-Fluoro-4-methylsulfonylbenzoic acid
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3-Fluoro-4-methylsulfonylbenzoic acid
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CAS No:
185945-88-4
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Formula:
C8H7FO4S
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Chemical Name:
3-Fluoro-4-methylsulfonylbenzoic acid
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Synonyms:
PC7551; 3-fluoro-4-methanesulfonylbenzoic acid;
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CAS No:
3-Fluoro-4-methylsulfonylbenzoic acid Basic Attributes
218.20200
218.00490804
DTXSID70650213
2916399090
Safety Information
|Warning|H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:218.20
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:218.00490804
Monoisotopic Mass:218.00490804
Topological Polar Surface Area:79.8
Heavy Atom Count:14
Complexity:319
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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