Methyl 3-Chloro-5-(hydroxymethyl)benzoate - CAS 153203-58-8
Catalog: |
BB010863 |
Product Name: |
Methyl 3-Chloro-5-(hydroxymethyl)benzoate |
CAS: |
153203-58-8 |
Synonyms: |
3-chloro-5-(hydroxymethyl)benzoic acid methyl ester; methyl 3-chloro-5-(hydroxymethyl)benzoate |
IUPAC Name: | methyl 3-chloro-5-(hydroxymethyl)benzoate |
Description: | Methyl 3-Chloro-5-(hydroxymethyl)benzoate (CAS# 153203-58-8) is a useful research chemical. |
Molecular Weight: | 200.62 |
Molecular Formula: | C9H9ClO3 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)Cl)CO |
InChI: | InChI=1S/C9H9ClO3/c1-13-9(12)7-2-6(5-11)3-8(10)4-7/h2-4,11H,5H2,1H3 |
InChI Key: | CBNLMDHBNUIUHS-UHFFFAOYSA-N |
LogP: | 1.61890 |
Publication Number | Title | Priority Date |
WO-2021165195-A1 | Heteroaryl-triazole compounds as pesticides | 20200218 |
WO-2021032934-A1 | Enzyme inhibitors | 20190821 |
WO-2020198537-A1 | Modulators of mas-related g-protein receptor x4 and related products and methods | 20190328 |
US-2021032213-A1 | Modulators of mas-related g-protein receptor x4 and related products and methods | 20190328 |
US-10442803-B2 | Tricyclic heterocycles as bet protein inhibitors | 20131219 |
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: | 1.5 |
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