Methyl 2-Chloro-5-methoxybenzoate - CAS 54810-63-8
Catalog: |
BB028823 |
Product Name: |
Methyl 2-Chloro-5-methoxybenzoate |
CAS: |
54810-63-8 |
Synonyms: |
2-chloro-5-methoxybenzoic acid methyl ester; methyl 2-chloro-5-methoxybenzoate |
IUPAC Name: | methyl 2-chloro-5-methoxybenzoate |
Description: | Methyl 2-Chloro-5-methoxybenzoate (CAS# 54810-63-8) is a useful research chemical. |
Molecular Weight: | 200.62 |
Molecular Formula: | C9H9ClO3 |
Canonical SMILES: | COC1=CC(=C(C=C1)Cl)C(=O)OC |
InChI: | InChI=1S/C9H9ClO3/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5H,1-2H3 |
InChI Key: | OXUBUSSEVOLEPD-UHFFFAOYSA-N |
LogP: | 2.13520 |
Publication Number | Title | Priority Date |
WO-2020037350-A1 | Adamantanyl-substituted benzamide compounds and their use as p2x7 receptor antagonists | 20180824 |
US-2021323910-A1 | Adamantanyl-substituted benzamide compounds and their use as p2x7 receptor antagonists | 20180824 |
AU-2017315343-A1 | Amino-pyrrolopyrimidinone compounds and methods of use thereof | 20160824 |
EP-3504213-A1 | Amino-pyrrolopyrimidinone compounds and methods of use thereof | 20160824 |
JP-2019530650-A | Amino-pyrrolopyrimidinone compounds and methods of use thereof | 20160824 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.0240218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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