| CAS Number | 1027513-99-0 |
| Catalog Number | AG01BTR9 |
| Chemical Name | α,α-Difluoro-3-methoxybenzeneacetic acid |
| IUPAC Name | 2,2-difluoro-2-(3-methoxyphenyl)acetic acid |
| InChI | InChI=1S/C9H8F2O3/c1-14-7-4-2-3-6(5-7)9(10,11)8(12)13/h2-5H,1H3,(H,12,13) |
| InChI Key | CDOYOTAXUDCGFD-UHFFFAOYSA-N |
| MDL Number | MFCD11007703 |
| Molecular Formula | C9H8F2O3 |
| Molecular Weight | 202.1548 |
| SMILES | FC(C(=O)O)(C1=CC(=CC=C1)OC)F |
| Synonyms | 2,2-difluoro-2-(3-methoxyphenyl)acetic acid,
Difluoro-(3-methoxyphenyl)acetic acid,
1027513-99-0,
CTK7A8872,
ZINC20213109,
AKOS009222318,
Z2832012389,
difluoro(3-methoxyphenyl)acetic acid,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.157g/mol |
| Monoisotopic Mass | 202.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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