3-Fluoro-5-formylbenzoic Acid - CAS 1289005-85-1
Catalog: |
BB006946 |
Product Name: |
3-Fluoro-5-formylbenzoic Acid |
CAS: |
1289005-85-1 |
Synonyms: |
3-fluoro-5-formylbenzoic acid; 3-fluoro-5-formylbenzoic acid |
IUPAC Name: | 3-fluoro-5-formylbenzoic acid |
Description: | 3-Fluoro-5-formylbenzoic Acid (CAS# 1289005-85-1) is a useful research chemical. |
Molecular Weight: | 168.12 |
Molecular Formula: | C8H5FO3 |
Canonical SMILES: | C1=C(C=C(C=C1C(=O)O)F)C=O |
InChI: | InChI=1S/C8H5FO3/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-4H,(H,11,12) |
InChI Key: | OZEBHMHUZNPCME-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
Publication Number | Title | Priority Date |
WO-2021050688-A1 | Compounds and uses thereof | 20190910 |
KR-100549092-B1 | 3-cyano-2,4,5-trifluoro-benzoyl fluoride and intermediate products for the preparation thereof | 19970424 |
KR-20010005868-A | 3-Cyano-2,4,5-trifluoro-benzoyl fluoride and intermediate products for the production thereof | 19970424 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.02227218 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.02227218 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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