Methyl 4-boronobenzoate

• Catalog Number: ACM99768124
• Product Name: Methyl 4-boronobenzoate
• CAS: 99768-12-4
• Category: Heterocyclic Organic Compound
• Synonyms: RARECHEM AH PB 0115;P-(METHOXYCARBONYL)PHENYLBORONIC ACID;METHYL 4-BORONOBENZOATE;AKOS BRN-0122;4-METHOXYCARBONYLBENZENEBORONIC ACID;4-METHOXYCARBONYLPHENYLBORONIC ACID;4-CARBOMETHOXYPHENYLBORONIC ACID;4-METHOXYCATBONYLPHENYLBORONICACID
• IUPAC Name: (4-methoxycarbonylphenyl)boronic acid
• Molecular Weight: 179.97g/mol
• Molecular Formula: C8H9BO4
• Canonical SMILES: B(C1=CC=C(C=C1)C(=O)OC)(O)O
• InChI: InChI=1S/C8H9BO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5,11-12H,1H3
• InChI Key: PQCXFUXRTRESBD-UHFFFAOYSA-N
• Complexity: 175
• Covalently-Bonded Unit Count: 1
• EC Number: 619-459-9
• Exact Mass: 180.059389g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 180.059389g/mol
• Rotatable Bond Count: 3