| CAS Number | 651734-62-2 |
| Catalog Number | AG00EOMR(AGN-PC-01W41P) |
| Chemical Name | 3-ethoxy-2,6-difluorobenzoic acid |
| IUPAC Name | 3-ethoxy-2,6-difluorobenzoic acid |
| InChI | InChI=1S/C9H8F2O3/c1-2-14-6-4-3-5(10)7(8(6)11)9(12)13/h3-4H,2H2,1H3,(H,12,13) |
| InChI Key | JOQRIDVHSRHQMD-UHFFFAOYSA-N |
| MDL Number | MFCD11519368 |
| Molecular Formula | C9H8F2O3 |
| Molecular Weight | 202.1548 |
| SMILES | CCOC1=C(F)C(C(O)=O)=C(F)C=C1 |
| Synonyms | 3-ETHOXY-2,6-DIFLUOROBENZOIC ACID,
651734-62-2,
MFCD11519368,
Benzoic acid, 3-ethoxy-2,6-difluoro-,
Benzoic acid, 3-ethoxy-2,6-difluoro- (9CI),
SCHEMBL4398112,
CTK1J8606,
DTXSID90593835,
SBB092885,
ZINC45805595,
AKOS015956832,
MCULE-5076638080,
NE54408,
AS-35533,
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| Complexity | 210 |
| 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 |
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Certificate of Analysis
Lot Number