| CAS Number | 90484-52-9 |
| Catalog Number | AG01BS1W |
| Chemical Name | Methyl 2-Bromo-4-Formylbenzoate |
| IUPAC Name | methyl 2-bromo-4-formylbenzoate |
| InChI | InChI=1S/C9H7BrO3/c1-13-9(12)7-3-2-6(5-11)4-8(7)10/h2-5H,1H3 |
| InChI Key | HVGRXTUWUNHKJB-UHFFFAOYSA-N |
| MDL Number | MFCD26863464 |
| Molecular Formula | C9H7BrO3 |
| Molecular Weight | 243.0541 |
| SMILES | COC(=O)C1=C(C=C(C=C1)C=O)Br |
| Synonyms | methyl 2-bromo-4-formylbenzoate,
90484-52-9,
Benzoic acid, 2-bromo-4-formyl-, methyl ester,
SCHEMBL2773312,
HVGRXTUWUNHKJB-UHFFFAOYSA-N,
MFCD26863464,
AKOS032954142,
ZINC159954744,
PS-11490,
2-Bromo-4-formyl-benzoic acid methyl ester,
|
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number