| CAS Number | 276861-64-4 |
| Catalog Number | AG00BGWN(AGN-PC-0WAOV4) |
| Chemical Name | 3-Methoxy-4-(trifluoromethyl)benzyl alcohol |
| IUPAC Name | [3-methoxy-4-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C9H9F3O2/c1-14-8-4-6(5-13)2-3-7(8)9(10,11)12/h2-4,13H,5H2,1H3 |
| InChI Key | KGRHSPHJFOSYLA-UHFFFAOYSA-N |
| MDL Number | MFCD18398590 |
| Molecular Formula | C9H9F3O2 |
| Molecular Weight | 206.1618 |
| SMILES | COC1=C(C(F)(F)F)C=CC(CO)=C1 |
| Synonyms | 3-METHOXY-4-(TRIFLUOROMETHYL)BENZYL ALCOHOL,
276861-64-4,
MFCD18398590,
[3-methoxy-4-(trifluoromethyl)phenyl]methanol,
(3-Methoxy-4-(trifluoromethyl)phenyl)methanol,
SCHEMBL5371918,
KGRHSPHJFOSYLA-UHFFFAOYSA-N,
ZINC91252074,
AKOS015957222,
FCH1372561,
JS-5010,
AM805977,
PC303070,
SY047822,
CS-0036017,
MFCD18398590 (95%),
3-Methoxy-4-(trifluoroMethyl)benzyl alcohol, 97%,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.164g/mol |
| Monoisotopic Mass | 206.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number