| CAS Number | 867366-86-7 |
| Catalog Number | AG01FR75(AGN-PC-0CYJY6) |
| Chemical Name | 1-(3-bromo-5-hydroxyphenyl)ethan-1-one |
| IUPAC Name | 1-(3-bromo-5-hydroxyphenyl)ethanone |
| InChI | InChI=1S/C8H7BrO2/c1-5(10)6-2-7(9)4-8(11)3-6/h2-4,11H,1H3 |
| InChI Key | VYINGHXDONEGGB-UHFFFAOYSA-N |
| MDL Number | MFCD22544402 |
| Molecular Formula | C8H7BrO2 |
| Molecular Weight | 215.0440 |
| SMILES | BrC=1C=C(C=C(C1)O)C(C)=O |
| Synonyms | 867366-86-7,
1-(3-BROMO-5-HYDROXYPHENYL)ETHANONE,
SCHEMBL201236,
VYINGHXDONEGGB-UHFFFAOYSA-N,
AB77772,
1-(3-bromo-5-hydroxy-phenyl)-ethanone,
Ethanone, 1-(3-bromo-5-hydroxyphenyl)-,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.96294g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.04g/mol |
| Monoisotopic Mass | 213.96294g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number