| CAS Number | 1243312-51-7 |
| Catalog Number | AG009Y3H(AGN-PC-0WR0IW) |
| Chemical Name | 3-Formyl-5-(trifluoromethyl)phenol |
| IUPAC Name | 3-hydroxy-5-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C8H5F3O2/c9-8(10,11)6-1-5(4-12)2-7(13)3-6/h1-4,13H |
| InChI Key | NEQXALZOVLWZSE-UHFFFAOYSA-N |
| MDL Number | MFCD16999720 |
| Molecular Formula | C8H5F3O2 |
| Molecular Weight | 190.1193 |
| SMILES | O=Cc1cc(O)cc(c1)C(F)(F)F |
| Synonyms | 3-Hydroxy-5-(trifluoromethyl)benzaldehyde,
1243312-51-7,
SCHEMBL13616882,
NEQXALZOVLWZSE-UHFFFAOYSA-N,
MFCD16999720,
ZINC80441123,
AB71638,
3-hydroxy-5-trifluoromethyl-benzaldehyde,
PS-11524,
3-Formyl-5-(trifluoromethyl)phenol, 3-Formyl-5-hydroxybenzotrifluoride,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.121g/mol |
| Monoisotopic Mass | 190.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^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