| CAS Number | 1214386-38-5 |
| Catalog Number | AG00HG86 |
| Chemical Name | 3-(Difluoromethoxy)-5-fluorobenzaldehyde |
| IUPAC Name | 3-(difluoromethoxy)-5-fluorobenzaldehyde |
| InChI | InChI=1S/C8H5F3O2/c9-6-1-5(4-12)2-7(3-6)13-8(10)11/h1-4,8H |
| InChI Key | VQANZPHGKJFBKB-UHFFFAOYSA-N |
| MDL Number | MFCD14698499 |
| Molecular Formula | C8H5F3O2 |
| Molecular Weight | 190.1193 |
| SMILES | O=Cc1cc(OC(F)F)cc(c1)F |
| Synonyms | 3-(difluoromethoxy)-5-fluorobenzaldehyde,
1214386-38-5,
ZINC47203353,
5-Difluoromethoxy-3-fluorobenzaldehyde,
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| Complexity | 175 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.121g/mol |
| Monoisotopic Mass | 190.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^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