| CAS Number | 1187238-15-8 |
| Catalog Number | AG01EHD9 |
| Chemical Name | 4-Chloro-3-(Hydroxymethyl)Benzoic Acid |
| IUPAC Name | 4-chloro-3-(hydroxymethyl)benzoic acid |
| InChI | InChI=1S/C8H7ClO3/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3,10H,4H2,(H,11,12) |
| InChI Key | GMSTVHUHUQMNTD-UHFFFAOYSA-N |
| MDL Number | MFCD20660527 |
| Molecular Formula | C8H7ClO3 |
| Molecular Weight | 186.5924 |
| SMILES | OCc1cc(ccc1Cl)C(=O)O |
| Synonyms | 4-Chloro-3-(hydroxymethyl)benzoic acid,
1187238-15-8,
SCHEMBL16011692,
ZINC75844592,
FCH1240988,
AX8277783,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.591g/mol |
| Monoisotopic Mass | 186.008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number