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BODIPY 581/591 C11

CAT: 0127-BUP05487-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05487-01Size:5 mg
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CAS Number
217075-36-0
Purity
=98%
Smiles
O=C(CCCCCCCCCCC1=CC=C2C=C3C=CC(C=CC=CC4=CC=CC=C4)=[N+]3[B-](F)(N21)F)[O-].[H+]

Chemical Information

Bodipy 581/591 C11
CAS Number217075-36-0
PubChem CID9914060
IUPAC Name11-[2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]undecanoic acid
Molecular FormulaC30H35BF2N2O2
Molecular Weight504.4
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count37
Formal Charge0
Complexity934
SMILES
[B-]1(N2C(=CC=C2CCCCCCCCCCC(=O)O)C=C3[N+]1=C(C=C3)/C=C/C=C/C4=CC=CC=C4)(F)F
InChI
InChI=1S/C30H35BF2N2O2/c32-31(33)34-26(17-10-5-3-1-2-4-6-11-19-30(36)37)20-22-28(34)24-29-23-21-27(35(29)31)18-13-12-16-25-14-8-7-9-15-25/h7-9,12-16,18,20-24H,1-6,10-11,17,19H2,(H,36,37)/b16-12+,18-13+
InChIKey
KXOYQMUYGHQCBT-CMQZKQKJSA-N
Chemical Structure
2D Structure
2D structure of Bodipy 581/591 C11
CAS: 217075-36-0
CID: 9914060
Formula: C30H35BF2N2O2
MW: 504.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass504.2759649
Monoisotopic Mass504.2759649
Topological Polar Surface Area45.2 Ų
Heavy Atom Count37
Formal Charge0
Complexity934
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C8003-1BODIPY 581/591 C11
SIA07536-01C11 Bodipy 581/591
B3930-01C11-BODIPY 581/591
B-CHM101-5mgBODIPY 581/591 NHS Ester
HY-D1691-01BODIPY-581/591 NHS ester
A24539-50BODIPY 581/591 C11 50mg
A24539-10BODIPY 581/591 C11 10mg
HY-DY1022-01BODIPY 581/591 C11 (solution)
A24539-5BODIPY 581/591 C11 5mg
A24539-1BODIPY 581/591 C11 1mg

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