4-(Methylsulfonyl)-3-nitrobenzoic acid
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4-(Methylsulfonyl)-3-nitrobenzoic acid
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CAS No:
81029-08-5
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Formula:
C8H7NO6S
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Chemical Name:
4-(Methylsulfonyl)-3-nitrobenzoic acid
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Synonyms:
Benzoic acid,4-(methylsulfonyl)-3-nitro-;4-(Methylsulfonyl)-3-nitrobenzoic acid;3-Nitro-4-methylsulfonylbenzoic acid
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CAS No:
Safety Information
P264, P280, P302+P352, P321, P332+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P321, P332+P313, and P362|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:245.21
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:244.99940812
Monoisotopic Mass:244.99940812
Topological Polar Surface Area:126
Heavy Atom Count:16
Complexity:392
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(Methylsulfonyl)-3-nitrobenzoic acid
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