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1213164-27-2

1213164-27-2 structural image
Product Name: METHYL (3S)-3-AMINO-3-(4-BROMO-3-METHYLPHENYL)PROPANOATE
Formula: C11H14BrNO2
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COMPUTED DESCRIPTORS

Molecular Weight 272.14 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 271.02079 g/mol
Monoisotopic Mass 271.02079 g/mol
Topological Polar Surface Area 52.3 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 223
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes