| CAS Number | 747411-54-7 |
| Catalog Number | AG019JIQ |
| Chemical Name | 3-Chloro-4-(difluoromethoxy)-5-methoxybenzaldehyde |
| IUPAC Name | 3-chloro-4-(difluoromethoxy)-5-methoxybenzaldehyde |
| InChI | InChI=1S/C9H7ClF2O3/c1-14-7-3-5(4-13)2-6(10)8(7)15-9(11)12/h2-4,9H,1H3 |
| InChI Key | RVOXHQRAIULOAJ-UHFFFAOYSA-N |
| MDL Number | MFCD05270919 |
| Molecular Formula | C9H7ClF2O3 |
| Molecular Weight | 236.5999 |
| SMILES | COC1=C(OC(F)F)C(Cl)=CC(C=O)=C1 |
| Synonyms | 3-chloro-4-(difluoromethoxy)-5-methoxybenzaldehyde,
747411-54-7,
AC1M1RSS,
AC1Q46CO,
CTK7H8801,
ZINC2641181,
AKOS000268852,
MCULE-1270058618,
NE51841,
EN300-09555,
SR-01000052237,
SR-01000052237-1,
ZINC02641181,
CID2104077,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.599g/mol |
| Monoisotopic Mass | 236.005g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number