3-fluoro-4-{[2-(prop-2-enamido)ethyl]carbamoyl}phenylboronic acid

CAS: 1313712-90-1

Formula: C12H14BFN2O4

SMILES: OB(O)C1=CC=C(C(=O)NCCNC(=O)C=C)C(F)=C1

IUPAC: (3-fluoro-4-{[2-(prop-2-enamido)ethyl]carbamoyl}phenyl)boronic acid

InChI: InChI=1S/C12H14BFN2O4/c1-2-11(17)15-5-6-16-12(18)9-4-3-8(13(19)20)7-10(9)14/h2-4,7,19-20H,1,5-6H2,(H,15,17)(H,16,18)

Composition: C (51.46%), H (5.04%), B (3.86%), F (6.78%), N (10.00%), O (22.85%)

Molar Mass: 280.06

Atom Count: 34

Heavy Atom Count: 20