| CAS Number | 749230-37-3 |
| Catalog Number | AG005S6B(AGN-PC-058CD4) |
| Chemical Name | 3,6-Difluoro-2-hydroxybenzoic acid |
| IUPAC Name | 3,6-difluoro-2-hydroxybenzoic acid |
| InChI | InChI=1S/C7H4F2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12) |
| InChI Key | FZHSZDCTILICIX-UHFFFAOYSA-N |
| MDL Number | MFCD08275285 |
| Molecular Formula | C7H4F2O3 |
| Molecular Weight | 174.1017 |
| SMILES | O=C(O)C1=C(F)C=CC(F)=C1O |
| Synonyms | 3,6-Difluoro-2-hydroxybenzoic acid,
749230-37-3,
MFCD08275285,
3,6-Difluorosalicylic acid,
CTK2H6783,
KS-00003RAN,
DTXSID70650399,
KM1653,
SBB088845,
ZINC16158101,
AKOS005255179,
PS-8638,
AJ-68478,
3,6-DIFLUORO-2-HYDROXYBENZOICACID,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.103g/mol |
| Monoisotopic Mass | 174.013g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number