| CAS Number | 56069-35-3 |
| Catalog Number | AG00IA07(AGN-PC-02Q4MJ) |
| Chemical Name | Ethyl 2-chloro-4-hydroxybenzoate |
| IUPAC Name | ethyl 2-chloro-4-hydroxybenzoate |
| InChI | InChI=1S/C9H9ClO3/c1-2-13-9(12)7-4-3-6(11)5-8(7)10/h3-5,11H,2H2,1H3 |
| InChI Key | SXPALFRWFJQPFQ-UHFFFAOYSA-N |
| MDL Number | MFCD06204666 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | CCOC(=O)c1ccc(cc1Cl)O |
| Synonyms | ethyl 2-chloro-4-hydroxybenzoate,
56069-35-3,
2-chloro-4-hydroxy-benzoic acid ethyl ester,
SCHEMBL1496051,
SXPALFRWFJQPFQ-UHFFFAOYSA-N,
ZINC44200581,
AM83193,
SC-57799,
BENZOIC ACID,2-CHLORO-4-HYDROXY-,ETHYL ESTER,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.618g/mol |
| Monoisotopic Mass | 200.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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