2-Chloro-4-ethoxybenzoic Acid - CAS 334018-28-9
Catalog: |
BB021699 |
Product Name: |
2-Chloro-4-ethoxybenzoic Acid |
CAS: |
334018-28-9 |
Synonyms: |
2-chloro-4-ethoxybenzoic acid; 2-chloro-4-ethoxybenzoic acid |
IUPAC Name: | 2-chloro-4-ethoxybenzoic acid |
Description: | 2-Chloro-4-ethoxybenzoic Acid (CAS# 334018-28-9) is a useful research chemical. |
Molecular Weight: | 200.62 |
Molecular Formula: | C9H9ClO3 |
Canonical SMILES: | CCOC1=CC(=C(C=C1)C(=O)O)Cl |
InChI: | InChI=1S/C9H9ClO3/c1-2-13-6-3-4-7(9(11)12)8(10)5-6/h3-5H,2H2,1H3,(H,11,12) |
InChI Key: | TVVYWGVVTSRIDM-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2015239548-A1 | Amido-substituted azole compounds as inhibitors of TNKS1 and/or TNKS2 | 20140402 |
CA-2944370-A1 | Amido-substituted azole compounds | 20140402 |
CN-106459015-A | Amido-substituted azole compounds as inhibitors of TNKS1 and/or TNKS2 | 20140402 |
EP-3126337-A2 | Amido-substituted azole compounds | 20140402 |
JP-2017512806-A | Amide-substituted azole compounds as inhibitors of TNKS1 and / or TNKS2 | 20140402 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.0240218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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