2-benzamido-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid
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![2-benzamido-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6353a927405e4ca8bc93cbbbab435752.png "2-benzamido-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid")
2-benzamido-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid
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CAS No:
4252-37-3
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Formula:
C20H22ClFN2O3
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Chemical Name:
2-benzamido-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid
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Synonyms:
4252-37-3;NCIOpen2_009255;N-Benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)alanine;ALANINE, N-BENZOYL-3-(p-((2-CHLOROETHYL)(2-FLUOROETHYL)AMINO)PHENYL)-;DTXSID20962550;NSC81147;NSC-81147;4-[(2-Chloroethyl)(2-fluoroethyl)amino]-N-[hydroxy(phenyl)methylidene]phenylalanine;1921-12-6
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CAS No:
2-benzamido-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid Basic Attributes
392.8 g/mol
392.1302984 g/mol
81147
Computed Properties
Molecular Weight:392.8
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:392.1302984
Monoisotopic Mass:392.1302984
Topological Polar Surface Area:69.6
Heavy Atom Count:27
Complexity:466
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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