| CAS Number | 1072951-59-7 |
| Catalog Number | AG003INI(AGN-PC-0WA7TN) |
| Chemical Name | 3,5-Diiodo-2-methoxyphenylboronic acid |
| IUPAC Name | (3,5-diiodo-2-methoxyphenyl)boronic acid |
| InChI | InChI=1S/C7H7BI2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3,11-12H,1H3 |
| InChI Key | GLXUCKYNVDXHBW-UHFFFAOYSA-N |
| MDL Number | MFCD08457647 |
| Molecular Formula | C7H7BI2O3 |
| Molecular Weight | 403.7486 |
| SMILES | COc1c(I)cc(cc1B(O)O)I |
| Synonyms | 3,5-Diiodo-2-methoxyphenylboronic acid,
1072951-59-7,
(3,5-Diiodo-2-methoxyphenyl)boronic acid,
C7H7BI2O3,
ACMC-2098t6,
CTK4A5293,
DTXSID80584797,
ANW-15688,
MFCD08457647,
AKOS015853785,
ZINC169903627,
FCH1388939,
RTR-001622,
AX8281788,
TR-001622,
Z7071,
I04-2887,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 403.858g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 403.749g/mol |
| Monoisotopic Mass | 403.858g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number