| CAS Number | 4657-56-1 |
| Catalog Number | AG01E4IT(AGN-PC-0NEWPU) |
| Chemical Name | 4-chloro-2-formylbenzoicacid |
| IUPAC Name | 4-chloro-2-formylbenzoic acid |
| InChI | InChI=1S/C8H5ClO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-4H,(H,11,12) |
| InChI Key | UAEFASLCDWQSDH-UHFFFAOYSA-N |
| MDL Number | MFCD18453660 |
| Molecular Formula | C8H5ClO3 |
| Molecular Weight | 184.5765 |
| SMILES | O=Cc1cc(Cl)ccc1C(=O)O |
| Synonyms | 4-chloro-2-formylbenzoic acid,
2-Formyl-4-chlorobenzoic Acid,
4657-56-1,
Benzoic acid, 4-chloro-2-formyl-,
SCHEMBL78586,
CTK1D1919,
DTXSID70452976,
UAEFASLCDWQSDH-UHFFFAOYSA-N,
AKOS005209322,
4-chloro-2-formyl-benzoic Acid,
CID11041421,
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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 | 1.7 |
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Certificate of Analysis
Lot Number