| CAS Number | 944645-38-9 |
| Catalog Number | AG005WXG(AGN-PC-08AXI1) |
| Chemical Name | Benzenemethanol, 4-bromo-α-(3-fluorophenyl)-
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| IUPAC Name | (4-bromophenyl)-(3-fluorophenyl)methanol |
| InChI | InChI=1S/C13H10BrFO/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8,13,16H |
| InChI Key | DYEJGILJRSUTDH-UHFFFAOYSA-N |
| MDL Number | MFCD11096326 |
| Molecular Formula | C13H10BrFO |
| Molecular Weight | 281.1203 |
| SMILES | C(O)(c1cc(F)ccc1)c1ccc(Br)cc1 |
| Synonyms | (4-Bromophenyl)(3-fluorophenyl)methanol,
944645-38-9,
4-Bromo-3'-fluorobenzhydrol,
ACMC-209rs5,
CTK8B2739,
DTXSID00678849,
ANW-40275,
KM3291,
MFCD11096326,
AKOS003583187,
TC-129020,
V9437,
C13H10BrFO,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.124g/mol |
| Monoisotopic Mass | 279.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number