4-Chloro-1-napthalenecarboxylic Acid - CAS 1013-04-3
Catalog: |
BB062400 |
Product Name: |
4-Chloro-1-napthalenecarboxylic Acid |
CAS: |
1013-04-3 |
Synonyms: |
4-Chloro-1-naphthalenecarboxylic Acid; 4-Chloro-1-naphthoic Acid |
IUPAC Name: | 4-chloronaphthalene-1-carboxylic acid |
Description: | 4-Chloro-1-napthalenecarboxylic Acid is used in the synthesis of naphthoyl-indoles as CB1 and CB2 receptor inhibitors. |
Molecular Weight: | 206.63 |
Molecular Formula: | C11H7ClO2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC=C2Cl)C(=O)O |
InChI: | InChI=1S/C11H7ClO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H,13,14) |
InChI Key: | SHCCGXNIGGRSMX-UHFFFAOYSA-N |
Melting Point: | >175°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly, Heated) |
Appearance: | Pale Yellow to Light Beige Solid |
Storage: | Refrigerator, under inert atmosphere |
References: | Wiley, J. et al. Bioorg. Med. Chem., 20, 2067 (2012). |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.0134572 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.0134572 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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