4-Chloro-β-methyl-3-nitro-γ-oxobenzenebutanoic acid
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4-Chloro-β-methyl-3-nitro-γ-oxobenzenebutanoic acid
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CAS No:
85633-96-1
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Formula:
C11H10ClNO5
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Chemical Name:
4-Chloro-β-methyl-3-nitro-γ-oxobenzenebutanoic acid
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Synonyms:
Benzenebutanoic acid,4-chloro-β-methyl-3-nitro-γ-oxo-;4-Chloro-β-methyl-3-nitro-γ-oxobenzenebutanoic acid;4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic acid;3-Methyl-4-oxo-4-(3′-nitro-4′-chloro-phenyl)-butyric acid;151870-04-1
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CAS No:
Safety Information
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, P501
H302
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, 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:271.65
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:271.0247501
Monoisotopic Mass:271.0247501
Topological Polar Surface Area:100
Heavy Atom Count:18
Complexity:354
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Chloro-β-methyl-3-nitro-γ-oxobenzenebutanoic acid
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