| CAS Number | 1121585-21-4 |
| Catalog Number | AG01AH1T |
| Chemical Name | 3-chloro-4-(difluoromethoxy)benzaldehyde |
| IUPAC Name | 3-chloro-4-(difluoromethoxy)benzaldehyde |
| InChI | InChI=1S/C8H5ClF2O2/c9-6-3-5(4-12)1-2-7(6)13-8(10)11/h1-4,8H |
| InChI Key | SOADXOUDBMSWGQ-UHFFFAOYSA-N |
| MDL Number | MFCD16075291 |
| Molecular Formula | C8H5ClF2O2 |
| Molecular Weight | 206.5739 |
| SMILES | c1(c(cc(cc1)C=O)Cl)OC(F)F |
| Synonyms | 3-chloro-4-(difluoromethoxy)benzaldehyde,
1121585-21-4,
Benzaldehyde, 3-chloro-4-(difluoromethoxy)-,
AC1Q4KOO,
SCHEMBL4542662,
SOADXOUDBMSWGQ-UHFFFAOYSA-N,
ZINC37594104,
AKOS010947879,
NE15933,
EN300-73437,
A1-07230,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.573g/mol |
| Monoisotopic Mass | 205.995g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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