1-Methyl 4-borono-3-nitrobenzoate
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1-Methyl 4-borono-3-nitrobenzoate
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CAS No:
85107-55-7
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Formula:
C8H8BNO6
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Chemical Name:
1-Methyl 4-borono-3-nitrobenzoate
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Synonyms:
Benzoic acid,4-borono-3-nitro-,1-methyl ester;Benzoic acid,4-borono-3-nitro-,methyl ester;1-Methyl 4-borono-3-nitrobenzoate;[4-(Methoxycarbonyl)-2-nitrophenyl]boronic acid
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CAS No:
Safety Information
IRRITANT
36/37/38-22
26-36/37/39-36
Xi,Xn
|Warning|H315 (100%): 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:224.97
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:225.0444671
Monoisotopic Mass:225.0444671
Topological Polar Surface Area:113
Heavy Atom Count:16
Complexity:278
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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