BDP 630/650 carboxylic acid

Catalog Number

ACM2183512027-1

CAS

2183512-02-7

IUPAC Name

2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]aceticacid

Molecular Weight

450.3

Molecular Formula

C23H17BF2N2O3S

Canonical SMILES

[B-]1(N2C(=CC=C2C=CC3=CC=C(C=C3)OCC(=O)O)C=C4[N+]1=C(C=C4)C5=CC=CS5)(F)F

InChI

InChI=1S/C23H17BF2N2O3S/c25-24(26)27-17(6-3-16-4-10-20(11-5-16)31-15-23(29)30)7-8-18(27)14-19-9-12-21(28(19)24)22-2-1-13-32-22/h1-14H,15H2,(H,29,30)/b6-3+

InChI Key

NPYDYOGYLPDKRP-ZZXKWVIFSA-N

Purity

95%

Storage

-20 °C in the dark

Excitation Maximum

628

• Catalog Number: ACM2183512027-1
• CAS: 2183512-02-7
• IUPAC Name: 2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]aceticacid
• Molecular Weight: 450.3
• Molecular Formula: C23H17BF2N2O3S
• Canonical SMILES: [B-]1(N2C(=CC=C2C=CC3=CC=C(C=C3)OCC(=O)O)C=C4[N+]1=C(C=C4)C5=CC=CS5)(F)F
• InChI: InChI=1S/C23H17BF2N2O3S/c25-24(26)27-17(6-3-16-4-10-20(11-5-16)31-15-23(29)30)7-8-18(27)14-19-9-12-21(28(19)24)22-2-1-13-32-22/h1-14H,15H2,(H,29,30)/b6-3+
• InChI Key: NPYDYOGYLPDKRP-ZZXKWVIFSA-N
• Purity: 95%
• Storage: -20 °C in the dark
• Excitation Maximum: 628