Methyl 3-Fluoro-5-formylbenzoate - CAS 1393561-99-3
Catalog: |
BB008929 |
Product Name: |
Methyl 3-Fluoro-5-formylbenzoate |
CAS: |
1393561-99-3 |
Synonyms: |
3-fluoro-5-formylbenzoic acid methyl ester; methyl 3-fluoro-5-formylbenzoate |
IUPAC Name: | methyl 3-fluoro-5-formylbenzoate |
Description: | Methyl 3-Fluoro-5-formylbenzoate (CAS# 1393561-99-3) is a useful research chemical. |
Molecular Weight: | 182.15 |
Molecular Formula: | C9H7FO3 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)C=O)F |
InChI: | InChI=1S/C9H7FO3/c1-13-9(12)7-2-6(5-11)3-8(10)4-7/h2-5H,1H3 |
InChI Key: | VLFQXVIURJDHTO-UHFFFAOYSA-N |
LogP: | 1.42480 |
Publication Number | Title | Priority Date |
WO-2021181122-A1 | Gpr52 modulator compounds | 20200313 |
WO-2021090030-A1 | Gpr52 modulator compounds | 20191108 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.03792224 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.03792224 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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