BDP 581/591 carboxylic acid

Catalog Number

ACM480999040-1

CAS

480999-04-0

IUPAC Name

3-[2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoicacid

Molecular Weight

392.2

Molecular Formula

C22H19BF2N2O2

Canonical SMILES

[B-]1(N2C(=CC=C2CCC(=O)O)C=C3[N+]1=C(C=C3)C=CC=CC4=CC=CC=C4)(F)F

InChI

InChI=1S/C22H19BF2N2O2/c24-23(25)26-18(9-5-4-8-17-6-2-1-3-7-17)10-12-20(26)16-21-13-11-19(27(21)23)14-15-22(28)29/h1-13,16H,14-15H2,(H,28,29)/b8-4+,9-5+

InChI Key

BNURWCMGIJOEAC-KBXRYBNXSA-N

Purity

95%

Storage

-20 °C in the dark

Excitation Maximum

585

• Catalog Number: ACM480999040-1
• CAS: 480999-04-0
• IUPAC Name: 3-[2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoicacid
• Molecular Weight: 392.2
• Molecular Formula: C22H19BF2N2O2
• Canonical SMILES: [B-]1(N2C(=CC=C2CCC(=O)O)C=C3[N+]1=C(C=C3)C=CC=CC4=CC=CC=C4)(F)F
• InChI: InChI=1S/C22H19BF2N2O2/c24-23(25)26-18(9-5-4-8-17-6-2-1-3-7-17)10-12-20(26)16-21-13-11-19(27(21)23)14-15-22(28)29/h1-13,16H,14-15H2,(H,28,29)/b8-4+,9-5+
• InChI Key: BNURWCMGIJOEAC-KBXRYBNXSA-N
• Purity: 95%
• Storage: -20 °C in the dark
• Excitation Maximum: 585