| CAS Number | 191529-08-5 |
| Catalog Number | AG002FAY(AGN-PC-0BTARA) |
| Chemical Name | 1,3,5-Benzenetrimethanol, 2,4,6-tribromo- |
| IUPAC Name | [2,4,6-tribromo-3,5-bis(hydroxymethyl)phenyl]methanol |
| InChI | InChI=1S/C9H9Br3O3/c10-7-4(1-13)8(11)6(3-15)9(12)5(7)2-14/h13-15H,1-3H2 |
| InChI Key | DNTYGIFJYSSHRM-UHFFFAOYSA-N |
| MDL Number | MFCD31579908 |
| Molecular Formula | C9H9Br3O3 |
| Molecular Weight | 404.8780 |
| SMILES | BrC1=C(CO)C(Br)=C(CO)C(Br)=C1CO |
| Synonyms | (2,4,6-Tribromobenzene-1,3,5-triyl)trimethanol,
191529-08-5,
1,3,5-Benzenetrimethanol, 2,4,6-tribromo-,
1,3,5-Tris(hydroxymethyl)-2,4,6-tribromobenzene,
SCHEMBL19270497,
CTK0E1472,
DTXSID30725375,
ZINC90727164,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 403.808g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 404.88g/mol |
| Monoisotopic Mass | 401.81g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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