| CAS Number | 134099-30-2 |
| Catalog Number | AG00HT63(AGN-PC-0WD8FQ) |
| Chemical Name | 2,4-Difluoro-3-(trifluoromethyl)benzaldehyde |
| IUPAC Name | 2,4-difluoro-3-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C8H3F5O/c9-5-2-1-4(3-14)7(10)6(5)8(11,12)13/h1-3H |
| InChI Key | IVVUVBIECSBSQR-UHFFFAOYSA-N |
| MDL Number | MFCD12404958 |
| Molecular Formula | C8H3F5O |
| Molecular Weight | 210.1008 |
| SMILES | c1cc(c(c(c1C=O)F)C(F)(F)F)F |
| Synonyms | 2,4-Difluoro-3-(trifluoromethyl)benzaldehyde,
134099-30-2,
SCHEMBL9340557,
ZX-AP003238,
MFCD12404958,
ZINC40571359,
FCH1344878,
PC51182,
PS-11413,
2,4-Difluoro-3-(trifluoromethyl)benzaldehyd,
FT-0719383,
2,4-Difluoro-3-(trifluoromethyl)benzaldehyde, AldrichCPR,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.103g/mol |
| Monoisotopic Mass | 210.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number