3-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid
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![3-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9fa5d62452be4d7da8f708033ff0667f.png "3-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid")
3-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid
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CAS No:
919988-44-6
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Formula:
C15H20BrNO4
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Chemical Name:
3-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid
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Synonyms:
Benzenebutanoic acid,3-bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]-;3-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid
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CAS No:
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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:358.23
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:357.05757
Monoisotopic Mass:357.05757
Topological Polar Surface Area:75.6
Heavy Atom Count:21
Complexity:367
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid
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