| CAS Number | 3851-47-6 |
| Catalog Number | AG0079BO(AGN-PC-0RGQQQ) |
| Chemical Name | Benzenemethanol, 4-bromo-α-(4-fluorophenyl)-
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| IUPAC Name | (4-bromophenyl)-(4-fluorophenyl)methanol |
| InChI | InChI=1S/C13H10BrFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H |
| InChI Key | QARMUHMNUCVWDD-UHFFFAOYSA-N |
| MDL Number | MFCD03411583 |
| Molecular Formula | C13H10BrFO |
| Molecular Weight | 281.1203 |
| SMILES | C(O)(c1ccc(Br)cc1)c1ccc(F)cc1 |
| Synonyms | (4-Bromophenyl)(4-fluorophenyl)methanol,
3851-47-6,
4-Bromo-4'-fluorobenzhydrol,
ACMC-209j0m,
SCHEMBL5518530,
CTK8B1590,
DTXSID90538029,
QARMUHMNUCVWDD-UHFFFAOYSA-N,
ANW-28916,
MFCD03411583,
TC-117661,
V5644,
K-8400,
C13H10BrFO,
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| Complexity | 208 |
| 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