| CAS Number | 1260795-42-3 |
| Catalog Number | AG01AFZ3 |
| Chemical Name | Methyl 4-bromo-2-formylbenzoate |
| IUPAC Name | methyl 4-bromo-2-formylbenzoate |
| InChI | InChI=1S/C9H7BrO3/c1-13-9(12)8-3-2-7(10)4-6(8)5-11/h2-5H,1H3 |
| InChI Key | XXGNIICNQUKYLR-UHFFFAOYSA-N |
| MDL Number | MFCD16036574 |
| Molecular Formula | C9H7BrO3 |
| Molecular Weight | 243.0541 |
| SMILES | COC(=O)C1=C(C=C(C=C1)Br)C=O |
| Synonyms | METHYL 4-BROMO-2-FORMYLBENZOATE,
1260795-42-3,
SCHEMBL18587690,
MFCD16036574,
ZINC95884058,
AKOS017553405,
ACN-046259,
NE39955,
PS-11491,
SC-34240,
4-Bromo-2-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