3-Bodipy-propanoic Acid Ethyl Ester

Catalog Number

ACM1418610533-1

CAS

1418610-53-3

Synonyms

7-(3-ethoxy-3-oxopropyl)-5,5-difluoro-1,3-dimethyl-5H-dipyrrolo[1,2-c:1',2'-f][1,3,2]diazaborinin-4-ium-5-uide

IUPAC Name

Ethyl3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoate

Molecular Weight

320.15

Molecular Formula

C16H19BF2N2O2

Canonical SMILES

[B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)OCC)C)C)(F)F

InChI

InChI=1S/C16H19BF2N2O2/c1-4-23-16(22)8-7-13-5-6-14-10-15-11(2)9-12(3)20(15)17(18,19)21(13)14/h5-6,9-10H,4,7-8H2,1-3H3

InChI Key

UEGDIEANOMZZBH-UHFFFAOYSA-N

Purity

98%

• Catalog Number: ACM1418610533-1
• CAS: 1418610-53-3
• Synonyms: 7-(3-ethoxy-3-oxopropyl)-5,5-difluoro-1,3-dimethyl-5H-dipyrrolo[1,2-c:1',2'-f][1,3,2]diazaborinin-4-ium-5-uide
• IUPAC Name: Ethyl3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoate
• Molecular Weight: 320.15
• Molecular Formula: C16H19BF2N2O2
• Canonical SMILES: [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)OCC)C)C)(F)F
• InChI: InChI=1S/C16H19BF2N2O2/c1-4-23-16(22)8-7-13-5-6-14-10-15-11(2)9-12(3)20(15)17(18,19)21(13)14/h5-6,9-10H,4,7-8H2,1-3H3
• InChI Key: UEGDIEANOMZZBH-UHFFFAOYSA-N
• Purity: 98%