Methyl 4-fluoro-3-formylbenzoate - CAS 1093865-65-6
Catalog: |
BB054723 |
Product Name: |
Methyl 4-fluoro-3-formylbenzoate |
CAS: |
1093865-65-6 |
Synonyms: |
4-Fluoro-3-formylbenzoic acid methyl ester |
IUPAC Name: | methyl 4-fluoro-3-formylbenzoate |
Molecular Weight: | 182.15 |
Molecular Formula: | C9H7FO3 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)F)C=O |
InChI: | InChI=1S/C9H7FO3/c1-13-9(12)6-2-3-8(10)7(4-6)5-11/h2-5H,1H3 |
InChI Key: | VJWHOSFTDOXSAS-UHFFFAOYSA-N |
Boiling Point: | 275.4±25.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
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: | 1.3 |
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