| CAS Number | 643094-10-4 |
| Catalog Number | AG00IPZS(AGN-PC-00YUH7) |
| Chemical Name | 4-Bromo-2-phenoxybenzaldehyde |
| IUPAC Name | 4-bromo-2-phenoxybenzaldehyde |
| InChI | InChI=1S/C13H9BrO2/c14-11-7-6-10(9-15)13(8-11)16-12-4-2-1-3-5-12/h1-9H |
| InChI Key | BFLULRYIBJHDLM-UHFFFAOYSA-N |
| MDL Number | MFCD08281869 |
| Molecular Formula | C13H9BrO2 |
| Molecular Weight | 277.1134 |
| SMILES | [Br]C2(=CC(OC1(=CC=CC=C1))=C(C=O)C=C2) |
| Synonyms | 4-bromo-2-phenoxybenzaldehyde,
643094-10-4,
4-bromo-2-phenoxybenzenecarbaldehyde,
SCHEMBL4464378,
BFLULRYIBJHDLM-UHFFFAOYSA-N,
KS-00001Y5J,
ZINC8925752,
AKOS005095748,
MCULE-4591707604,
DA-41812,
FT-0737579,
5Z-0821,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.117g/mol |
| Monoisotopic Mass | 275.979g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number