4,5-difluorobenzofuran-7-carboxylic acid - CAS 1935101-74-8
Catalog: |
BB014972 |
Product Name: |
4,5-difluorobenzofuran-7-carboxylic acid |
CAS: |
1935101-74-8 |
Synonyms: |
4,5-difluoro-7-benzofurancarboxylic acid; 4,5-difluoro-1-benzofuran-7-carboxylic acid |
IUPAC Name: | 4,5-difluoro-1-benzofuran-7-carboxylic acid |
Description: | 4,5-difluorobenzofuran-7-carboxylic acid (CAS# 1935101-74-8 ) is a useful research chemical. |
Molecular Weight: | 198.125 |
Molecular Formula: | C9H4F2O3 |
Canonical SMILES: | C1=COC2=C1C(=C(C=C2C(=O)O)F)F |
InChI: | InChI=1S/C9H4F2O3/c10-6-3-5(9(12)13)8-4(7(6)11)1-2-14-8/h1-3H,(H,12,13) |
InChI Key: | KCMHRKBZNKAAAY-UHFFFAOYSA-N |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.01285031 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.01285031 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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