| CAS Number | 924817-93-6 |
| Catalog Number | AG006HUU(AGN-PC-0WALDR) |
| Chemical Name | 3-Fluoro-2-(trifluoromethyl)benzaldehyde |
| IUPAC Name | 3-fluoro-2-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C8H4F4O/c9-6-3-1-2-5(4-13)7(6)8(10,11)12/h1-4H |
| InChI Key | YYQGKGKDRPRFFV-UHFFFAOYSA-N |
| MDL Number | MFCD04116354 |
| Molecular Formula | C8H4F4O |
| Molecular Weight | 192.1104 |
| SMILES | O=CC1=CC=CC(F)=C1C(F)(F)F |
| Synonyms | 3-fluoro-2-(trifluoromethyl)benzaldehyde,
924817-93-6,
3-Fluoro-2-trifluoromethylbenzaldehyde,
MFCD04116354,
AC1MCGZ3,
SCHEMBL1508673,
CTK5H1297,
DTXSID30377717,
ZINC2528618,
FCH835036,
SBB091367,
AKOS006280484,
AS03342,
JS-4538,
AJ-38322,
PC302091,
AX8035439,
FT-0692161,
CID2769409,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.113g/mol |
| Monoisotopic Mass | 192.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^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