| CAS Number | 39516-07-9 |
| Catalog Number | AG00I7S0(AGN-PC-0WQZXE) |
| Chemical Name | (R)-4-(4-Chlorophenyl)butan-2-ol |
| IUPAC Name | (2R)-4-(4-chlorophenyl)butan-2-ol |
| InChI | InChI=1S/C10H13ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-8,12H,2-3H2,1H3/t8-/m1/s1 |
| InChI Key | NMHKGZZVRRFXJO-MRVPVSSYSA-N |
| MDL Number | MFCD29981719 |
| Molecular Formula | C10H13ClO |
| Molecular Weight | 184.6626 |
| SMILES | C[C@H](CCC1=CC=C(Cl)C=C1)O |
| Synonyms | (R)-4-(4-Chlorophenyl)butan-2-ol,
39516-07-9,
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.663g/mol |
| Monoisotopic Mass | 184.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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