| CAS Number | 58977-33-6 |
| Catalog Number | AG01EHB6(AGN-PC-3H45GJ) |
| Chemical Name | 2-(4-Bromophenyl)butan-2-ol |
| IUPAC Name | 2-(4-bromophenyl)butan-2-ol |
| InChI | InChI=1S/C10H13BrO/c1-3-10(2,12)8-4-6-9(11)7-5-8/h4-7,12H,3H2,1-2H3 |
| InChI Key | NJHFESJPVIPUEY-UHFFFAOYSA-N |
| MDL Number | MFCD00268089 |
| Molecular Formula | C10H13BrO |
| Molecular Weight | 229.1136 |
| SMILES | CCC(c1ccc(cc1)Br)(O)C |
| Synonyms | 2-(4-bromophenyl)butan-2-ol,
2-(4-BROMO-PHENYL)-BUTAN-2-OL,
AC1N9X3M,
2-(4-Bromophenyl)-2-butanol,
AKOS009996597,
MCULE-7635041358,
58977-33-6,
CID4417732,
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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 | 228.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.117g/mol |
| Monoisotopic Mass | 228.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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