| CAS Number | 1155878-02-6 |
| Catalog Number | AG01A409(AGN-PC-0WCWX8) |
| Chemical Name | 3-Bromo-4-(difluoromethoxy)benzaldehyde |
| IUPAC Name | 3-bromo-4-(difluoromethoxy)benzaldehyde |
| InChI | InChI=1S/C8H5BrF2O2/c9-6-3-5(4-12)1-2-7(6)13-8(10)11/h1-4,8H |
| InChI Key | UACWAGNPKGEOBB-UHFFFAOYSA-N |
| MDL Number | MFCD17284342 |
| Molecular Formula | C8H5BrF2O2 |
| Molecular Weight | 251.0249 |
| SMILES | FC(OC1=C(Br)C=C(C=O)C=C1)F |
| Synonyms | 3-bromo-4-(difluoromethoxy)benzaldehyde,
1155878-02-6,
3-Bromo-4-difluoromethoxybenzaldehyde,
3-Bromo-4-difluoromethoxy-benzaldehyde,
SCHEMBL3466337,
UACWAGNPKGEOBB-UHFFFAOYSA-N,
MFCD17284342,
ZINC62702967,
AKOS012352535,
NE39395,
AS-43757,
A1-04122,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.027g/mol |
| Monoisotopic Mass | 249.944g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number