BDP TR carboxylicacid

Catalog Number

ACM150152640-1

CAS

150152-64-0

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)aceticacid

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]aceticacid

Molecular Weight

424.2

Molecular Formula

C21H15BF2N2O3S

Canonical SMILES

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

InChI

InChI=1S/C21H15BF2N2O3S/c23-22(24)25-15(12-16-6-10-19(26(16)22)20-2-1-11-30-20)5-9-18(25)14-3-7-17(8-4-14)29-13-21(27)28/h1-12H,13H2,(H,27,28)

InChI Key

GBWGJJBJMKBGOS-UHFFFAOYSA-N

Purity

96%

Appearance

Dark colored solid

Storage

-20 °C in the dark

• Catalog Number: ACM150152640-1
• CAS: 150152-64-0
• 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)aceticacid
• 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]aceticacid
• Molecular Weight: 424.2
• Molecular Formula: C21H15BF2N2O3S
• Canonical SMILES: [B-]1(N2C(=CC=C2C3=CC=CS3)C=C4[N+]1=C(C=C4)C5=CC=C(C=C5)OCC(=O)O)(F)F
• InChI: InChI=1S/C21H15BF2N2O3S/c23-22(24)25-15(12-16-6-10-19(26(16)22)20-2-1-11-30-20)5-9-18(25)14-3-7-17(8-4-14)29-13-21(27)28/h1-12H,13H2,(H,27,28)
• InChI Key: GBWGJJBJMKBGOS-UHFFFAOYSA-N
• Purity: 96%
• Appearance: Dark colored solid
• Storage: -20 °C in the dark