287384-28-5

Name BDP TMR carboxylic acid
CAS 287384-28-5
Molecular Formula C21H21BF2N2O3
Molecular Weight 398.22
MOL File 287384-28-5.mol
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Chemical Properties

solubility  Soluble in alcohols, DMSO, DMF
Appearance Dark brown solid
ex/em 545/570 nm
ε(extinction coefficient) 55000 L⋅mol−1⋅cm−1
Φ(quantum yield) 0.64
InChI InChI=1S/C21H21BF2N2O3/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/h4-8,10,12H,9,11H2,1-3H3,(H,27,28)
InChIKey XNXZTGCQHQKUMJ-UHFFFAOYSA-N
SMILES [F-][B+3]1([N-]2C(=C(CCC(=O)[O-])C(C)=C2C=C2C=CC(C3C=CC(OC)=CC=3)=N12)C)[F-].[H+]

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