| CAS Number | 908248-02-2 |
| Catalog Number | AG00IGB0(AGN-PC-0WD67W) |
| Chemical Name | Methyl 2-Chloro-4-Formylbenzoate |
| IUPAC Name | methyl 2-chloro-4-formylbenzoate |
| InChI | InChI=1S/C9H7ClO3/c1-13-9(12)7-3-2-6(5-11)4-8(7)10/h2-5H,1H3 |
| InChI Key | UTMVVAXABVYJEA-UHFFFAOYSA-N |
| MDL Number | MFCD21603681 |
| Molecular Formula | C9H7ClO3 |
| Molecular Weight | 198.6031 |
| SMILES | O=C(OC)C1=CC=C(C=O)C=C1Cl |
| Synonyms | methyl 2-chloro-4-formylbenzoate,
908248-02-2,
SCHEMBL1515716,
UTMVVAXABVYJEA-UHFFFAOYSA-N,
KS-00001AI3,
ZINC98180735,
AS-39828,
DB-101264,
CS-0038173,
Benzoic acid, 2-chloro-4-formyl-, methyl ester,
Ethyl3-chloro-4-formylbenzoate,
Ethyl 3-chloro-4-formylbenzoate,
AJ-141841,
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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 | 198.008372g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.6g/mol |
| Monoisotopic Mass | 198.008372g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number