| CAS Number | 1355247-00-5 |
| Catalog Number | AG009WYM(AGN-PC-0WA58E) |
| Chemical Name | 2-(Benzyloxy)-5-bromobenzaldehyde, dimethyl acetal |
| IUPAC Name | 4-bromo-2-(dimethoxymethyl)-1-phenylmethoxybenzene |
| InChI | InChI=1S/C16H17BrO3/c1-18-16(19-2)14-10-13(17)8-9-15(14)20-11-12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3 |
| InChI Key | VXVGVYXZKHSEDA-UHFFFAOYSA-N |
| MDL Number | MFCD21333084 |
| Molecular Formula | C16H17BrO3 |
| Molecular Weight | 337.2084 |
| SMILES | COC(c1cc(Br)ccc1OCc1ccccc1)OC |
| Synonyms | 1355247-00-5,
1-(Benzyloxy)-4-bromo-2-(dimethoxymethyl)benzene,
2-(Benzyloxy)-5-bromobenzaldehyde, dimethyl acetal,
MFCD21333084,
ZINC95496013,
AKOS024258180,
AJ-132692,
AX8283929,
B-8850,
2-(Benzyloxy)-5-bromobenzaldehyde dimethyl acetal,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.213g/mol |
| Monoisotopic Mass | 336.036g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number