12-(2-carboxyethyl)-2,2-difluoro-4-(1H-pyrrol-2-yl)-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

CAS: 150173-78-7

Formula: C16H14BF2N3O2

SMILES: OC(=O)CCC1=[N+]2C(C=C1)=CC1=CC=C(N1[B-]2(F)F)C1=CC=CN1

IUPAC: 12-(2-carboxyethyl)-2,2-difluoro-4-(1H-pyrrol-2-yl)-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

InChI: InChI=1S/C16H14BF2N3O2/c18-17(19)21-11(6-8-16(23)24)3-4-12(21)10-13-5-7-15(22(13)17)14-2-1-9-20-14/h1-5,7,9-10,20H,6,8H2,(H,23,24)

Composition: C (58.39%), H (4.29%), B (3.28%), F (11.55%), N (12.77%), O (9.72%)

Molar Mass: 329.11

Atom Count: 38

Heavy Atom Count: 24