| CAS Number | 1451393-05-7 |
| Catalog Number | AG00ASY3(AGN-PC-0WRA36) |
| Chemical Name | 3-Carboxy-2,4-difluorophenylboronic acid |
| IUPAC Name | 3-borono-2,6-difluorobenzoic acid |
| InChI | InChI=1S/C7H5BF2O4/c9-4-2-1-3(8(13)14)6(10)5(4)7(11)12/h1-2,13-14H,(H,11,12) |
| InChI Key | YKUGBPFCJTZDIQ-UHFFFAOYSA-N |
| MDL Number | MFCD16295273 |
| Molecular Formula | C7H5BF2O4 |
| Molecular Weight | 201.9200 |
| SMILES | c1(c(ccc(c1F)B(O)O)F)C(=O)O |
| Synonyms | 3-Carboxy-2,4-difluorophenylboronic acid,
1451393-05-7,
3-Borono-2,6-difluorobenzoic acid,
MFCD16295273,
AKOS022181684,
ZINC169978214,
FCH1398412,
AK-62301,
AS-19907,
BC001574,
Z1413,
Q-8756,
C7H5BF2O4,
ACN-044260,
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.92g/mol |
| Monoisotopic Mass | 202.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number