| CAS Number | 1000414-11-8 |
| Catalog Number | AG0000ND(AGN-PC-0WAYBN) |
| Chemical Name | 3-Bromo-4-phenoxybenzaldehyde |
| IUPAC Name | 3-bromo-4-phenoxybenzaldehyde |
| InChI | InChI=1S/C13H9BrO2/c14-12-8-10(9-15)6-7-13(12)16-11-4-2-1-3-5-11/h1-9H |
| InChI Key | ZGVFEKMOKLMLSI-UHFFFAOYSA-N |
| MDL Number | MFCD27937159 |
| Molecular Formula | C13H9BrO2 |
| Molecular Weight | 277.1134 |
| SMILES | O=CC1=CC=C(OC2=CC=CC=C2)C(Br)=C1 |
| Synonyms | 3-bromo-4-phenoxybenzaldehyde,
1000414-11-8,
SCHEMBL203768,
ZGVFEKMOKLMLSI-UHFFFAOYSA-N,
ZINC95929116,
AKOS022168308,
BK-0704,
OR43651,
KS-0000230L,
4-Benzyloxy-3-bromo-benzaldehyde,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.97859g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.11g/mol |
| Monoisotopic Mass | 275.97859g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number