| CAS Number | 1427385-06-5 |
| Catalog Number | AG003AEB(AGN-PC-0WOM5Q) |
| Chemical Name | (5-BROMO-2-ETHYL-PHENYL)-METHANOL |
| IUPAC Name | (5-bromo-2-ethylphenyl)methanol |
| InChI | InChI=1S/C9H11BrO/c1-2-7-3-4-9(10)5-8(7)6-11/h3-5,11H,2,6H2,1H3 |
| InChI Key | JTSOKPHJUZMCFH-UHFFFAOYSA-N |
| MDL Number | MFCD23709572 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | OCC1=CC(Br)=CC=C1CC |
| Synonyms | (5-Bromo-2-ethylphenyl)methanol,
1427385-06-5,
SCHEMBL16962174,
AKOS024085650,
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| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.09g/mol |
| Monoisotopic Mass | 213.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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