| CAS Number | 57295-33-7 |
| Catalog Number | AG00IA7J(AGN-PC-0NI7O2) |
| Chemical Name | (2-Bromo-5-methoxy-4-methylphenyl)methanol |
| IUPAC Name | (2-bromo-5-methoxy-4-methylphenyl)methanol |
| InChI | InChI=1S/C9H11BrO2/c1-6-3-8(10)7(5-11)4-9(6)12-2/h3-4,11H,5H2,1-2H3 |
| InChI Key | ROMVGEWQOADZHE-UHFFFAOYSA-N |
| MDL Number | MFCD21605749 |
| Molecular Formula | C9H11BrO2 |
| Molecular Weight | 231.0864 |
| SMILES | BrC1=C(C=C(C(=C1)C)OC)CO |
| Synonyms | (2-bromo-5-methoxy-4-methylphenyl)methanol,
57295-33-7,
Benzenemethanol, 2-bromo-5-methoxy-4-methyl-,
CTK1E1127,
DTXSID20482081,
KS-000022ZC,
ZX-RL003317,
MFCD21605749,
ZINC72190667,
AKOS015991282,
BG-0004,
FCH1564422,
MCULE-7015633084,
OR310056,
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| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.089g/mol |
| Monoisotopic Mass | 229.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number