4-Carboxy-2-fluorophenylboronic acid pinacol ester

Name: 4-Carboxy-2-fluorophenylboronic acid pinacol ester
SKU: ACM1050423874-1
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Catalog NumberACM1050423874-1

CAS Number1050423-87-4

CategorySalt

IUPAC Name

3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

Molecular Weight

266.07g/mol

Molecular Formula

C13H16BFO4

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(=O)O)F

InChI

InChI=1S/C13H16BFO4/c1-12(2)13(3,4)19-14(18-12)9-6-5-8(11(16)17)7-10(9)15/h5-7H,1-4H3,(H,16,17)

InChI Key

JSQNZNXVVRPGTD-UHFFFAOYSA-N

Complexity

356

Covalently-Bonded Unit Count

Exact Mass

266.112567g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

266.112567g/mol

Rotatable Bond Count

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