| CAS Number | 1427373-63-4 |
| Catalog Number | AG01DW1C |
| Chemical Name | methyl 6-chloro-2-formyl-3-hydroxybenzoate |
| IUPAC Name | methyl 6-chloro-2-formyl-3-hydroxybenzoate |
| InChI | InChI=1S/C9H7ClO4/c1-14-9(13)8-5(4-11)7(12)3-2-6(8)10/h2-4,12H,1H3 |
| InChI Key | ZUUJIDUPNJFHOH-UHFFFAOYSA-N |
| MDL Number | MFCD23705590 |
| Molecular Formula | C9H7ClO4 |
| Molecular Weight | 214.6025 |
| SMILES | COC(C1=C(C=O)C(O)=CC=C1Cl)=O |
| Synonyms | 6-CHLORO-2-FORMYL-3-HYDROXY-BENZOIC ACID METHYL ESTER,
1427373-63-4,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.601g/mol |
| Monoisotopic Mass | 214.003g/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 |
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Certificate of Analysis
Lot Number