| CAS Number | 1214384-89-0 |
| Catalog Number | AG0014YI(AGN-PC-0WAOVE) |
| Chemical Name | Benzaldehyde, 3-methoxy-2-(trifluoromethyl)- |
| IUPAC Name | 3-methoxy-2-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C9H7F3O2/c1-14-7-4-2-3-6(5-13)8(7)9(10,11)12/h2-5H,1H3 |
| InChI Key | HSPNVFXNJYKWSK-UHFFFAOYSA-N |
| MDL Number | MFCD13185677 |
| Molecular Formula | C9H7F3O2 |
| Molecular Weight | 204.1459 |
| SMILES | O=CC1=CC=CC(OC)=C1C(F)(F)F |
| Synonyms | 3-Methoxy-2-(trifluoromethyl)benzaldehyde,
1214384-89-0,
MFCD13185677,
SCHEMBL18124631,
ZINC91252082,
AKOS025402840,
FCH1380721,
JS-5015,
PC302094,
AX8264260,
Benzaldehyde, 3-methoxy-2-(trifluoromethyl)-,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.148g/mol |
| Monoisotopic Mass | 204.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number