| CAS Number | 2096336-26-2 |
| Catalog Number | AG01EHHE |
| Chemical Name | 5-Bromo-2-methoxy-4-methylphenylboronic acid |
| IUPAC Name | (5-bromo-2-methoxy-4-methylphenyl)boronic acid |
| InChI | InChI=1S/C8H10BBrO3/c1-5-3-8(13-2)6(9(11)12)4-7(5)10/h3-4,11-12H,1-2H3 |
| InChI Key | XELJRMLEIJXFPS-UHFFFAOYSA-N |
| MDL Number | MFCD19237168 |
| Molecular Formula | C8H10BBrO3 |
| Molecular Weight | 244.8782 |
| SMILES | COc1cc(C)c(cc1B(O)O)Br |
| Synonyms | 5-Bromo-2-methoxy-4-methylphenylboronic acid,
2096336-26-2,
(5-bromo-2-methoxy-4-methylphenyl)boronic acid,
MFCD19237168,
AKOS027369648,
ZINC169951621,
Y2807,
A-2906,
A-4695,
C8H10BBrO3,
N/A,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.879g/mol |
| Monoisotopic Mass | 243.991g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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