2-acetamido-3-(2-bromo-2-chloro-1,1-difluoroethyl)sulfanylpropanoic acid
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2-acetamido-3-(2-bromo-2-chloro-1,1-difluoroethyl)sulfanylpropanoic acid
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CAS No:
57596-70-0
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Formula:
C7H9BrClF2NO3S
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Chemical Name:
2-acetamido-3-(2-bromo-2-chloro-1,1-difluoroethyl)sulfanylpropanoic acid
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Synonyms:
acetyl-BCFEC;N-acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L- cysteine;N-Acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L-cysteine;57596-70-0;BRN 4807550;N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine;CHEMBL2075000;DTXSID20973166;2-acetamido-3-(2-bromo-2-chloro-1,1-difluoroethyl)sulfanylpropanoic acid;ALANINE, N-ACETYL-3-((2-BROMO-2-CHLORO-1,1-DIFLUOROETHYL)THIO)-, L-;N-acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L- cysteine;S-(2-Bromo-2-chloro-1,1-difluoroethyl)-N-(1-hydroxyethylidene)cysteine
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CAS No:
2-acetamido-3-(2-bromo-2-chloro-1,1-difluoroethyl)sulfanylpropanoic acid Basic Attributes
340.57 g/mol
338.91431 g/mol
Computed Properties
Molecular Weight:340.57
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:338.91431
Monoisotopic Mass:338.91431
Topological Polar Surface Area:91.7
Heavy Atom Count:16
Complexity:282
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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