| CAS Number | 1243475-87-7 |
| Catalog Number | AG009XT0(AGN-PC-0WR8IN) |
| Chemical Name | 3-bromo-5-(propan-2-yl)phenol |
| IUPAC Name | 3-bromo-5-propan-2-ylphenol |
| InChI | InChI=1S/C9H11BrO/c1-6(2)7-3-8(10)5-9(11)4-7/h3-6,11H,1-2H3 |
| InChI Key | SGAOHCAASRMQOF-UHFFFAOYSA-N |
| MDL Number | MFCD16997121 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | CC(C)c1cc(O)cc(Br)c1 |
| Synonyms | 3-BROMO-5-ISOPROPYLPHENOL,
1243475-87-7,
3-BROMO-5-(PROPAN-2-YL)PHENOL,
SCHEMBL20483093,
MFCD16997121,
ZINC95710339,
AKOS027425380,
MB22419,
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| Complexity | 125 |
| 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 | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number