| CAS Number | 174881-57-3 |
| Catalog Number | AG019EJH(AGN-PC-0QANGP) |
| Chemical Name | Hydrogen 3-(5,5-difluoro-7-phenyl-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)propanoate |
| IUPAC Name | 3-(2,2-difluoro-12-phenyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)propanoic acid |
| InChI | InChI=1S/C18H15BF2N2O2/c20-19(21)22-14(9-11-18(24)25)6-7-15(22)12-16-8-10-17(23(16)19)13-4-2-1-3-5-13/h1-8,10,12H,9,11H2,(H,24,25) |
| InChI Key | RFLLOBSXBJAGST-UHFFFAOYSA-N |
| MDL Number | MFCD31580085 |
| Molecular Formula | C18H14BF2N2O2 |
| Molecular Weight | 340.1317 |
| SMILES | [H+].O=C([O-])CCC1=CC=C2C=C3C=CC(C=4C=CC=CC4)=[N]3[B+3]([F-])([F-])[N-]21 |
| Synonyms | BODIPY R6G,
BDP R6G carboxylic acid,
SCHEMBL14681848,
CHEBI:52692,
BP-23940,
Q27123554,
4,4-difluoro-5-phenyl-4-bora-3a,4a-diaza-s-indacene-3-propionic acid,
(3-{5-[(5-phenyl-2H-pyrrol-2-ylidene-kappaN)methyl]-1H-pyrrol-2-yl-kappaN}propanoato)(difluoro)boron,
174881-57-3,
|
| Complexity | 668 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.119464g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.1g/mol |
| Monoisotopic Mass | 340.119464g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number