BDP TR alkyne

Catalog Number

ACM2006345351-1

CAS

2006345-35-1

Synonyms

2-(4-(5,5-difluoro-7-(thiophen-2-yl)-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)phenoxy)-N-(prop-2-yn-1-yl)acetamide

IUPAC Name

2-[4-(2,2-difluoro-12-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)phenoxy]-N-prop-2-ynylacetamide

Molecular Weight

461.3

Molecular Formula

C24H18BF2N3O2S

Canonical SMILES

[B-]1(N2C(=CC=C2C3=CC=CS3)C=C4[N+]1=C(C=C4)C5=CC=C(C=C5)OCC(=O)NCC#C)(F)F

InChI

InChI=1S/C24H18BF2N3O2S/c1-2-13-28-24(31)16-32-20-9-5-17(6-10-20)21-11-7-18-15-19-8-12-22(23-4-3-14-33-23)30(19)25(26,27)29(18)21/h1,3-12,14-15H,13,16H2,(H,28,31)

InChI Key

NRAIVGWGVIETRD-UHFFFAOYSA-N

Purity

95%

Storage

-20 °C in the dark

Excitation Maximum

589

• Catalog Number: ACM2006345351-1
• CAS: 2006345-35-1
• Synonyms: 2-(4-(5,5-difluoro-7-(thiophen-2-yl)-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)phenoxy)-N-(prop-2-yn-1-yl)acetamide
• IUPAC Name: 2-[4-(2,2-difluoro-12-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)phenoxy]-N-prop-2-ynylacetamide
• Molecular Weight: 461.3
• Molecular Formula: C24H18BF2N3O2S
• Canonical SMILES: [B-]1(N2C(=CC=C2C3=CC=CS3)C=C4[N+]1=C(C=C4)C5=CC=C(C=C5)OCC(=O)NCC#C)(F)F
• InChI: InChI=1S/C24H18BF2N3O2S/c1-2-13-28-24(31)16-32-20-9-5-17(6-10-20)21-11-7-18-15-19-8-12-22(23-4-3-14-33-23)30(19)25(26,27)29(18)21/h1,3-12,14-15H,13,16H2,(H,28,31)
• InChI Key: NRAIVGWGVIETRD-UHFFFAOYSA-N
• Purity: 95%
• Storage: -20 °C in the dark
• Excitation Maximum: 589