| CAS Number | 1044920-98-0 |
| Catalog Number | AG008Z41 |
| Chemical Name | Methyl 4-chloro-3-formylbenzoate |
| IUPAC Name | methyl 4-chloro-3-formylbenzoate |
| InChI | InChI=1S/C9H7ClO3/c1-13-9(12)6-2-3-8(10)7(4-6)5-11/h2-5H,1H3 |
| InChI Key | SCKJKFNMDKHELA-UHFFFAOYSA-N |
| MDL Number | MFCD16036863 |
| Molecular Formula | C9H7ClO3 |
| Molecular Weight | 198.6031 |
| SMILES | COC(=O)c1ccc(c(c1)C=O)Cl |
| Synonyms | METHYL 4-CHLORO-3-FORMYLBENZOATE,
1044920-98-0,
4-chloro-3-formylbenzoic acid methyl ester,
SCHEMBL4715538,
MFCD16036863,
AKOS030621355,
ZINC157253002,
AK668279,
AS-50317,
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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 | 198.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.602g/mol |
| Monoisotopic Mass | 198.008g/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 |
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Certificate of Analysis
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