BDP TMR carboxylic acid

Catalog Number

ACM287384285-1

CAS

287384-28-5

Synonyms

3-[2,2-Difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraen-5-yl]propanoicacid

IUPAC Name

3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraen-5-yl]propanoicacid

Molecular Weight

398.2

Molecular Formula

C21H21BF2N2O3

Canonical SMILES

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

InChI

InChI=1S/C21H22BF2N2O3/c1-13-18(9-11-21(27)28)14(2)25-20(13)12-16-6-10-19(26(16)22(25,23)24)15-4-7-17(29-3)8-5-15/h4-8,10,12,19H,9,11H2,1-3H3,(H,27,28)/q-1

InChI Key

ISQBJIUYKIGKJP-UHFFFAOYSA-N

Purity

95%

Storage

-20 °C in the dark

Excitation Maximum

545

• Catalog Number: ACM287384285-1
• CAS: 287384-28-5
• Synonyms: 3-[2,2-Difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraen-5-yl]propanoicacid
• IUPAC Name: 3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraen-5-yl]propanoicacid
• Molecular Weight: 398.2
• Molecular Formula: C21H21BF2N2O3
• Canonical SMILES: [B-]1(N2C(C=CC2=CC3=C(C(=C(N31)C)CCC(=O)O)C)C4=CC=C(C=C4)OC)(F)F
• InChI: InChI=1S/C21H22BF2N2O3/c1-13-18(9-11-21(27)28)14(2)25-20(13)12-16-6-10-19(26(16)22(25,23)24)15-4-7-17(29-3)8-5-15/h4-8,10,12,19H,9,11H2,1-3H3,(H,27,28)/q-1
• InChI Key: ISQBJIUYKIGKJP-UHFFFAOYSA-N
• Purity: 95%
• Storage: -20 °C in the dark
• Excitation Maximum: 545