(S)-3-amino-3-(2-bromo-phenyl)-propionic acid

• CAS: 275826-34-1
• Catalog Number: ACM275826341
• Category: Bromine Series
• Molecular Weight: 244.08
• Molecular Formula: C9H10BrNO2

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C9H10BrNO2.

What is the molecular weight of the compound?

The molecular weight of the compound is 244.08 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (3S)-3-amino-3-(2-bromophenyl)propanoic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1.

What is the InChIKey of the compound?

The InChIKey of the compound is OETRFEPZCAGEMK-QMMMGPOBSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CC=C(C(=C1)C(CC(=O)O)N)Br.

What is the isomeric SMILES of the compound?

The isomeric SMILES of the compound is C1=CC=C(C(=C1)[C@H](CC(=O)O)N)Br.

What is the CAS number of the compound?

The CAS number of the compound is 275826-34-1.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is -1.3.

Is the compound canonicalized?

Yes, the compound is canonicalized.