| CAS Number | 706820-79-3 |
| Catalog Number | AG00FGP5(AGN-PC-0JJFTM) |
| Chemical Name | Methyl 3-Bromo-5-Formyl-4-Hydroxybenzoate |
| IUPAC Name | methyl 3-bromo-5-formyl-4-hydroxybenzoate |
| InChI | InChI=1S/C9H7BrO4/c1-14-9(13)5-2-6(4-11)8(12)7(10)3-5/h2-4,12H,1H3 |
| InChI Key | XHKGRKFKESLQFV-UHFFFAOYSA-N |
| MDL Number | MFCD22565644 |
| Molecular Formula | C9H7BrO4 |
| Molecular Weight | 259.0535 |
| SMILES | BrC=1C=C(C(=O)OC)C=C(C1O)C=O |
| Synonyms | Methyl 3-bromo-5-formyl-4-hydroxybenzoate,
706820-79-3,
3-Bromo-5-formyl-4-hydroxy-benzoic acid methyl ester,
SCHEMBL1303461,
DTXSID80856769,
XHKGRKFKESLQFV-UHFFFAOYSA-N,
ZINC95628791,
AKOS022172370,
FCH2289857,
QC-8533,
methyl 3-bromo-5-formyl-4hydroxybenzoate,
AB0097303,
AJ-133072,
AX8259390,
Z-8411,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.055g/mol |
| Monoisotopic Mass | 257.953g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number