| CAS Number | 210826-69-0 |
| Catalog Number | AG00I414(AGN-PC-01WCXY) |
| Chemical Name | 1-(3-Bromophenyl)cyclopentan-1-ol |
| IUPAC Name | 1-(3-bromophenyl)cyclopentan-1-ol |
| InChI | InChI=1S/C11H13BrO/c12-10-5-3-4-9(8-10)11(13)6-1-2-7-11/h3-5,8,13H,1-2,6-7H2 |
| InChI Key | ZYMFSRNLGZANMQ-UHFFFAOYSA-N |
| MDL Number | MFCD23708970 |
| Molecular Formula | C11H13BrO |
| Molecular Weight | 241.1243 |
| SMILES | c1(cccc(c1)Br)C1(CCCC1)O |
| Synonyms | 1-(3-Bromophenyl)cyclopentan-1-ol,
210826-69-0,
Cyclopentanol, 1-(3-bromophenyl)-,
SCHEMBL7136098,
MFCD23708970,
ZINC75846663,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.128g/mol |
| Monoisotopic Mass | 240.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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