3-chloro-4-formylbenzoic acid - CAS 58588-59-3
Catalog: |
BB030097 |
Product Name: |
3-chloro-4-formylbenzoic acid |
CAS: |
58588-59-3 |
Synonyms: |
3-chloro-4-formylbenzoic acid; 3-chloro-4-formylbenzoic acid |
IUPAC Name: | 3-chloro-4-formylbenzoic acid |
Description: | 3-chloro-4-formylbenzoic acid (CAS# 58588-59-3) is a reagent in the synthesis of potential retinoid x receptor selective agonists used in the treatment of T-cell lymphoma. |
Molecular Weight: | 184.575 |
Molecular Formula: | C8H5ClO3 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)Cl)C=O |
InChI: | InChI=1S/C8H5ClO3/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-4H,(H,11,12) |
InChI Key: | STTXUSSNIZOQGV-UHFFFAOYSA-N |
LogP: | 1.85070 |
Publication Number | Title | Priority Date |
CN-111763177-A | Synthesis of quinazoline compound and triple negative breast cancer resistance effect thereof | 20200709 |
CN-113493444-A | Compound and preparation method and application thereof | 20200320 |
EP-3875452-A1 | Monoacylglycerol lipase inhibitors | 20200304 |
WO-2021175913-A1 | Monoacylglycerol lipase inhibitors | 20200304 |
WO-2021160132-A1 | Heterocyclic compound, preparation method therefor, and use thereof | 20200214 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.9927217 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.9927217 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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