| CAS Number | 106877-40-1 |
| Catalog Number | AG0095DP(AGN-PC-0NL6F4) |
| Chemical Name | 5-Methoxy-2-(trifluoromethyl)phenol |
| IUPAC Name | 5-methoxy-2-(trifluoromethyl)phenol |
| InChI | InChI=1S/C8H7F3O2/c1-13-5-2-3-6(7(12)4-5)8(9,10)11/h2-4,12H,1H3 |
| InChI Key | RRHXUHOVPBIAOU-UHFFFAOYSA-N |
| MDL Number | MFCD13185698 |
| Molecular Formula | C8H7F3O2 |
| Molecular Weight | 192.1352 |
| SMILES | COC1=CC=C(C(O)=C1)C(F)(F)F |
| Synonyms | 5-METHOXY-2-(TRIFLUOROMETHYL)PHENOL,
106877-40-1,
SCHEMBL10656799,
5-Methoxy-2-trifluoromethyl-phenol,
MFCD13185698,
ZINC34768518,
AKOS024258604,
DS-9400,
FCH1149091,
MB13388,
AJ-90100,
AX8267233,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.137g/mol |
| Monoisotopic Mass | 192.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number