| CAS Number | 1237747-77-1 |
| Catalog Number | AG000L25(AGN-PC-0WRA2H) |
| Chemical Name | 3-(4-Trifluoromethoxyphenyl)phenol |
| IUPAC Name | 3-[4-(trifluoromethoxy)phenyl]phenol |
| InChI | InChI=1S/C13H9F3O2/c14-13(15,16)18-12-6-4-9(5-7-12)10-2-1-3-11(17)8-10/h1-8,17H |
| InChI Key | JRRQYCVOENWMLA-UHFFFAOYSA-N |
| MDL Number | MFCD18312996 |
| Molecular Formula | C13H9F3O2 |
| Molecular Weight | 254.2046 |
| SMILES | OC1=CC(C2=CC=C(OC(F)(F)F)C=C2)=CC=C1 |
| Synonyms | 3-(4-TRIFLUOROMETHOXYPHENYL)PHENOL,
1237747-77-1,
4'-(Trifluoromethoxy)-[1,1'-biphenyl]-3-ol,
ACMC-209apu,
SCHEMBL1029424,
CTK8A9552,
DTXSID70683607,
ANW-18160,
MFCD18312996,
ZINC65340130,
TC-106905,
Z8730,
4'-(Trifluoromethoxy)[1,1'-biphenyl]-3-ol,
B-6727,
[1,1'-Biphenyl]-3-ol, 4'-(trifluoromethoxy)-,
C13H9F3O2,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.208g/mol |
| Monoisotopic Mass | 254.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number