| CAS Number | 915920-73-9 |
| Catalog Number | AG006GLC(AGN-PC-0WB4V0) |
| Chemical Name | 4-Bromo-3-formylphenyl acetate |
| IUPAC Name | (4-bromo-3-formylphenyl) acetate |
| InChI | InChI=1S/C9H7BrO3/c1-6(12)13-8-2-3-9(10)7(4-8)5-11/h2-5H,1H3 |
| InChI Key | KVGIUGCXIJKTGO-UHFFFAOYSA-N |
| MDL Number | MFCD08691777 |
| Molecular Formula | C9H7BrO3 |
| Molecular Weight | 243.0541 |
| SMILES | C1(C=O)=CC(=CC=C1Br)OC(C)=O |
| Synonyms | 4-BROMO-3-FORMYLPHENYL ACETATE,
915920-73-9,
4-Bromo-3-formylphenylacetate,
SCHEMBL4642827,
CTK5G9933,
DTXSID80651079,
CHEMBRDG-BB 7616930,
MFCD08691777,
ZINC19094021,
AKOS006342001,
AJ-72296,
Y-4435,
CHEMBRDG-BB7616930,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.056g/mol |
| Monoisotopic Mass | 241.958g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number