3-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid
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![3-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4b9d943f383e42b5ba523702d58bb329.png "3-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid")
3-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid
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CAS No:
284493-67-0
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Formula:
C14H18ClNO4
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Chemical Name:
3-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid
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Synonyms:
Benzenepropanoic acid,3-chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]-;3-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid;3-[[(tert-Butoxy)carbonyl]amino]-3-(3-chlorophenyl)propanoic acid;3-tert-Butoxycarbonylamino-3-(3-chlorophenyl)propionicacid
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CAS No:
3-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid Basic Attributes
299.75
299.75
DTXSID20402906
2924299090
Characteristics
75.63000
3.77140
white to off-white powder
1.2167
98.5-100.7 °C
445.6ºC
223.3ºC
1.6800 (estimate)
1.01E-08mmHg at 25°C
Computed Properties
Molecular Weight:299.75
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:299.0924357
Monoisotopic Mass:299.0924357
Topological Polar Surface Area:75.6
Heavy Atom Count:20
Complexity:354
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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