| CAS Number | 20771-97-5 |
| Catalog Number | AG002J7V(AGN-PC-09S35M) |
| Chemical Name | 2-Chloro-6-formylbenzoic acid |
| IUPAC Name | 2-chloro-6-formylbenzoic acid |
| InChI | InChI=1S/C8H5ClO3/c9-6-3-1-2-5(4-10)7(6)8(11)12/h1-4H,(H,11,12) |
| InChI Key | URGQYBULFKLFMX-UHFFFAOYSA-N |
| MDL Number | MFCD11053586 |
| Molecular Formula | C8H5ClO3 |
| Molecular Weight | 184.5765 |
| SMILES | OC(C1=C(C=O)C=CC=C1Cl)=O |
| Synonyms | 2-chloro-6-formylbenzoic acid,
20771-97-5,
2-CARBOXY-3-CHLORO-BENZENALDEHYDE,
2-chloro-6-formyl-benzoic acid,
CTK4E5054,
DTXSID40698506,
Benzoic acid, 2-chloro-6-formyl-,
FCH887941,
ZINC71261661,
AKOS006309212,
ACM20771975,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.575g/mol |
| Monoisotopic Mass | 183.993g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number