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BDP TR maleimide

CAT: 0127-BIPG2151-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG2151-01Size:5 mg
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CAS Number
2183473-37-0
Purity
95%
Smiles
[B-]1 (N2C (=CC=C2C3=CC=CS3) C=C4[N+]1=C (C=C4) C5=CC=C (C=C5) OCC (=O) NCCN6C (=O) C=CC6=O) (F) F

Chemical Information

Bodipy TR maleimide
CAS Number2183473-37-0
PubChem CID131954314
IUPAC Name2-[4-(2,2-difluoro-12-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)phenoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
Molecular FormulaC27H21BF2N4O4S
Molecular Weight546.4
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity1150
SMILES
[B-]1(N2C(=CC=C2C3=CC=CS3)C=C4[N+]1=C(C=C4)C5=CC=C(C=C5)OCC(=O)NCCN6C(=O)C=CC6=O)(F)F
InChI
InChI=1S/C27H21BF2N4O4S/c29-28(30)33-19(16-20-6-10-23(34(20)28)24-2-1-15-39-24)5-9-22(33)18-3-7-21(8-4-18)38-17-25(35)31-13-14-32-26(36)11-12-27(32)37/h1-12,15-16H,13-14,17H2,(H,31,35)
InChIKey
ODPQFCAAMNDHJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bodipy TR maleimide
CAS: 2183473-37-0
CID: 131954314
Formula: C27H21BF2N4O4S
MW: 546.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight546.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass546.1344628
Monoisotopic Mass546.1344628
Topological Polar Surface Area112 Ų
Heavy Atom Count39
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes