BDP 558/568 carboxylic acid

Catalog Number

ACM150173721-1

CAS

150173-72-1

Synonyms

3-(2,2-Difluoro-12-thiophen-2-yl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraen-4-yl)propanoicacid

IUPAC Name

3-(2,2-difluoro-12-thiophen-2-yl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraen-4-yl)propanoicacid

Molecular Weight

346.2

Molecular Formula

C16H13BF2N2O2S

Canonical SMILES

[B-]1(N2C(C=CC2=CC3=CC=C(N31)CCC(=O)O)C4=CC=CS4)(F)F

InChI

InChI=1S/C16H14BF2N2O2S/c18-17(19)20-11(6-8-16(22)23)3-4-12(20)10-13-5-7-14(21(13)17)15-2-1-9-24-15/h1-5,7,9-10,14H,6,8H2,(H,22,23)/q-1

InChI Key

AQRXTSIFUROMPR-UHFFFAOYSA-N

Purity

95%

Appearance

Dark colored solid

Storage

-20 °C in the dark

Excitation Maximum

561

• Catalog Number: ACM150173721-1
• CAS: 150173-72-1
• Synonyms: 3-(2,2-Difluoro-12-thiophen-2-yl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraen-4-yl)propanoicacid
• IUPAC Name: 3-(2,2-difluoro-12-thiophen-2-yl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraen-4-yl)propanoicacid
• Molecular Weight: 346.2
• Molecular Formula: C16H13BF2N2O2S
• Canonical SMILES: [B-]1(N2C(C=CC2=CC3=CC=C(N31)CCC(=O)O)C4=CC=CS4)(F)F
• InChI: InChI=1S/C16H14BF2N2O2S/c18-17(19)20-11(6-8-16(22)23)3-4-12(20)10-13-5-7-14(21(13)17)15-2-1-9-24-15/h1-5,7,9-10,14H,6,8H2,(H,22,23)/q-1
• InChI Key: AQRXTSIFUROMPR-UHFFFAOYSA-N
• Purity: 95%
• Appearance: Dark colored solid
• Storage: -20 °C in the dark
• Excitation Maximum: 561