3-Chloro-5-cyanobenzoic Acid - CAS 327056-71-3
Catalog: |
BB021373 |
Product Name: |
3-Chloro-5-cyanobenzoic Acid |
CAS: |
327056-71-3 |
Synonyms: |
3-chloro-5-cyanobenzoic acid; 3-chloro-5-cyanobenzoic acid |
IUPAC Name: | 3-chloro-5-cyanobenzoic acid |
Description: | 3-Chloro-5-cyanobenzoic Acid (CAS# 327056-71-3 ) is a useful research chemical. |
Molecular Weight: | 181.58 |
Molecular Formula: | C8H4ClNO2 |
Canonical SMILES: | C1=C(C=C(C=C1C(=O)O)Cl)C#N |
InChI: | InChI=1S/C8H4ClNO2/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3H,(H,11,12) |
InChI Key: | CAZBPYYWJAVBMY-UHFFFAOYSA-N |
LogP: | 1.90988 |
Publication Number | Title | Priority Date |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
WO-2018066718-A1 | Therapeutic compounds | 20161004 |
AU-2008338965-A1 | Tetrahydrocyclopenta[b]indol-3-yl carboxylic acid derivatives useful in the treatment of autoimmune and inflammatory disorders | 20071218 |
CA-2707513-A1 | Tetrahydrocyclopenta[b]indol-3-yl carboxylic acid derivatives useful in the treatment of autoimmune and inflammatory disorders | 20071218 |
CN-101945862-A | Tetrahydrocyclopenta[b]indol-3-yl carboxylic acid derivatives useful in the treatment of autoimmune and inflammatory disorders | 20071218 |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.9930561 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.9930561 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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