3-Aminobenzeneboronic acid hemisulfate

• Catalog Number: ACM66472864
• Product Name: 3-Aminobenzeneboronic acid hemisulfate
• CAS: 66472-86-4
• Category: Boro-Amino Acids
• Synonyms: 3-AMINOBENZENEBORONIC ACID HEMISULFATE;3-AMINOBENZENEBORONIC ACID HEMISULFATE SALT;3-AMINOBENZENEBORONIC ACID HEMISULPHATE;3-AMINOPHENYLBORONIC ACID HEMISULFATE;(3-AMINOPHENYL)BORONIC ACID HEMISULPHATE;M-AMINOPHENYLBORONIC ACID HEMISULFATE;M-AMINOPHENYLBO
• IUPAC Name: (3-aminophenyl)boronic acid;sulfuric acid
• Molecular Weight: 372g/mol
• Molecular Formula: C12H18B2N2O8S
• Canonical SMILES: B(C1=CC(=CC=C1)N)(O)O.B(C1=CC(=CC=C1)N)(O)O.OS(=O)(=O)O
• InChI: InChI=1S/2C6H8BNO2.H₂O4S/c2*8-6-3-1-2-5(4-6)7(9)10;1-5(2,3)4/h2*1-4,9-10H,8H2;(H2,1,2,3,4)
• InChI Key: UKTAURVTSWDIQR-UHFFFAOYSA-N
• Complexity: 191
• Covalently-Bonded Unit Count: 3
• Exact Mass: 372.096997g/mol
• Formal Charge: 0
• H-Bond Acceptor: 10
• H-Bond Donor: 8
• Heavy Atom Count: 25
• Monoisotopic Mass: 372.096997g/mol
• Rotatable Bond Count: 2