| CAS Number | 81390-93-4 |
| Catalog Number | AG00ID6M(AGN-PC-0UJCWT) |
| Chemical Name | (3,5-Bis(trifluoromethyl)phenyl)(phenyl)methanol |
| IUPAC Name | [3,5-bis(trifluoromethyl)phenyl]-phenylmethanol |
| InChI | InChI=1S/C15H10F6O/c16-14(17,18)11-6-10(7-12(8-11)15(19,20)21)13(22)9-4-2-1-3-5-9/h1-8,13,22H |
| InChI Key | IJECXTZHVDMNGS-UHFFFAOYSA-N |
| MDL Number | MFCD11100929 |
| Molecular Formula | C15H10F6O |
| Molecular Weight | 320.2297 |
| SMILES | OC(C1=CC=CC=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonyms | (3,5-BIS(TRIFLUOROMETHYL)PHENYL)(PHENYL)METHANOL,
81390-93-4,
SCHEMBL14033674,
CTK7J6257,
AR2819,
MFCD11100929,
AS-45451,
[3,5-Bis(trifluoromethyl)phenyl]phenylmethanol,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.234g/mol |
| Monoisotopic Mass | 320.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
Lot Number