2-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)-2,2-difluoroacetic acid - CAS 1638764-98-3
Catalog: |
BB012053 |
Product Name: |
2-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)-2,2-difluoroacetic acid |
CAS: |
1638764-98-3 |
Synonyms: |
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-difluoroacetic acid; 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-difluoroacetic acid |
IUPAC Name: | 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-difluoroacetic acid |
Description: | 2-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)-2,2-difluoroacetic acid (CAS# 1638764-98-3 ) is a useful research chemical. |
Molecular Weight: | 252.121 |
Molecular Formula: | C9H4F4O4 |
Canonical SMILES: | C1=CC2=C(C=C1C(C(=O)O)(F)F)OC(O2)(F)F |
InChI: | InChI=1S/C9H4F4O4/c10-8(11,7(14)15)4-1-2-5-6(3-4)17-9(12,13)16-5/h1-3H,(H,14,15) |
InChI Key: | KEZZOTZKXSGDBE-UHFFFAOYSA-N |
Complexity: | 333 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.00457125 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.00457125 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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