[(3S)-3-amino-4-oxo-4-phenylmethoxybutyl]imino-methyl-oxidoazanium;2,2,2-trifluoroacetic acid
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[(3S)-3-amino-4-oxo-4-phenylmethoxybutyl]imino-methyl-oxidoazanium;2,2,2-trifluoroacetic acid
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CAS No:
161337-88-8
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Formula:
C14H18F3N3O5
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Chemical Name:
[(3S)-3-amino-4-oxo-4-phenylmethoxybutyl]imino-methyl-oxidoazanium;2,2,2-trifluoroacetic acid
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Synonyms:
azoxybacilin phenylmethyl ester;Ro 09-1824;Ro-09-1824;Azoxybacilin phenylmethyl ester;Ro 09-1824;Ro-09-1824;161337-88-8;Butanoic acid, 2-amino-4-(methyl-ONN-azoxy)-, phenylmethyl ester, (S-(Z))-, mono(trifluoroacetate)
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CAS No:
[(3S)-3-amino-4-oxo-4-phenylmethoxybutyl]imino-methyl-oxidoazanium;2,2,2-trifluoroacetic acid Basic Attributes
365.30 g/mol
365.11985517 g/mol
Computed Properties
Molecular Weight:365.30
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:365.11985517
Monoisotopic Mass:365.11985517
Topological Polar Surface Area:131
Heavy Atom Count:25
Complexity:372
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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