99073-88-8 Purity
96%
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The molecular formula of 3-Bromo-D-phenylalanine is C9H10BrNO2.
The molecular weight of 3-Bromo-D-phenylalanine is 244.08 g/mol.
The IUPAC name of 3-Bromo-D-phenylalanine is (2R)-2-amino-3-(3-bromophenyl)propanoic acid.
The InChI of 3-Bromo-D-phenylalanine is InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1.
The InChIKey of 3-Bromo-D-phenylalanine is GDMOHOYNMWWBAU-MRVPVSSYSA-N.
The canonical SMILES of 3-Bromo-D-phenylalanine is C1=CC(=CC(=C1)Br)CC(C(=O)O)N.
The isomeric SMILES of 3-Bromo-D-phenylalanine is C1=CC(=CC(=C1)Br)C[C@H](C(=O)O)N.
The CAS number of 3-Bromo-D-phenylalanine is 99295-78-0.
The XLogP3 value of 3-Bromo-D-phenylalanine is -0.8.
Yes, 3-Bromo-D-phenylalanine is a canonicalized compound.