BDP 630/650 alkyne

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Catalog Number	CCR2006345384
CAS	2006345-38-4
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]-N-prop-2-ynylacetamide
Molecular Weight	487.3
Molecular Formula	C26H20BF2N3O2S
Canonical SMILES	[B-]1(N2C(=CC=C2C=CC3=CC=C(C=C3)OCC(=O)NCC#C)C=C4[N+]1=C(C=C4)C5=CC=CS5)(F)F
InChI	InChI=1S/C26H20BF2N3O2S/c1-2-15-30-26(33)18-34-23-12-6-19(7-13-23)5-8-20-9-10-21-17-22-11-14-24(25-4-3-16-35-25)32(22)27(28,29)31(20)21/h1,3-14,16-17H,15,18H2,(H,30,33)/b8-5+
InChI Key	DQTUTMHFRQVZSG-VMPITWQZSA-N
Purity	95%+
Solubility	Soluble in DMF, DMSO, alcohols
Application	CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction
Storage	-20 °C
Complexity	1010
Exact Mass	487.1337346
Isomeric SMILES	[B-]1(N2C(=CC=C2/C=C/C3=CC=C(C=C3)OCC(=O)NCC#C)C=C4[N+]1=C(C=C4)C5=CC=CS5)(F)F
Monoisotopic Mass	487.1337346
Topological Polar Surface Area	74.5Å²

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