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

CAS: 377780-80-8

Formula: C13H16BNO6

SMILES: CC1(C)OB(OC1(C)C)C1=CC(=CC(=C1)C(O)=O)[N+]([O-])=O

IUPAC: 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

InChI: InChI=1S/C13H16BNO6/c1-12(2)13(3,4)21-14(20-12)9-5-8(11(16)17)6-10(7-9)15(18)19/h5-7H,1-4H3,(H,16,17)

Composition: C (53.28%), H (5.50%), B (3.69%), N (4.78%), O (32.75%)

Molar Mass: 293.08

Atom Count: 37

Heavy Atom Count: 21