| CAS Number | 932378-94-4 |
| Catalog Number | AG019ENA |
| Chemical Name | (3,5-Bis(Ethoxycarbonyl)Phenyl)Boronic Acid |
| IUPAC Name | [3,5-bis(ethoxycarbonyl)phenyl]boronic acid |
| InChI | InChI=1S/C12H15BO6/c1-3-18-11(14)8-5-9(12(15)19-4-2)7-10(6-8)13(16)17/h5-7,16-17H,3-4H2,1-2H3 |
| InChI Key | XXBGYFGJSMAOSZ-UHFFFAOYSA-N |
| MDL Number | MFCD11867795 |
| Molecular Formula | C12H15BO6 |
| Molecular Weight | 266.0549 |
| SMILES | O=C(C1=CC(C(OCC)=O)=CC(B(O)O)=C1)OCC |
| Synonyms | (3,5-bis(ethoxycarbonyl)phenyl)boronic acid,
932378-94-4,
MFCD11867795,
CS-0059843,
3,5-bis(ethoxycarbonyl)phenylboronic acid,
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| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.056g/mol |
| Monoisotopic Mass | 266.096g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 93.1A^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
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Packing Group
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Precautionary statements
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P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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UN Code
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Certificate of Analysis
Lot Number