2-(3-Chlorophenyl)pyrimidine-4-carboxylic Acid - CAS 1216604-60-2
Catalog: |
BB055499 |
Product Name: |
2-(3-Chlorophenyl)pyrimidine-4-carboxylic Acid |
CAS: |
1216604-60-2 |
Synonyms: |
2-(3-Chlorophenyl)-4-pyrimidinecarboxylic Acid |
IUPAC Name: | 2-(3-chlorophenyl)pyrimidine-4-carboxylic acid |
Description: | 2-(3-Chlorophenyl)pyrimidine-4-carboxylic Acid is a derivative of 2-(4-Chlorophenyl)pyrimidine-4-carboxylic Acid (C375678(P)), which is useful for preparing alkyl (pyrimidine)carboxylates. |
Molecular Weight: | 234.64 |
Molecular Formula: | C11H7ClN2O2 |
Canonical SMILES: | C1=CC(=CC(=C1)Cl)C2=NC=CC(=N2)C(=O)O |
InChI: | InChI=1S/C11H7ClN2O2/c12-8-3-1-2-7(6-8)10-13-5-4-9(14-10)11(15)16/h1-6H,(H,15,16) |
InChI Key: | JYYUZXXZLABMHW-UHFFFAOYSA-N |
Melting Point: | >189°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Light Brown Solid |
Storage: | -20°C |
References: | Stepaniuk, O. O., et al. Tetrahedron, 75, 3472 (2019). |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.0196052 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.0196052 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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