| CAS Number | 917223-87-1 |
| Catalog Number | AG00H2U1(AGN-PC-0HAFUR) |
| Chemical Name | 3-Borono-5-fluoro-4-methylbenzoic acid |
| IUPAC Name | 3-borono-5-fluoro-4-methylbenzoic acid |
| InChI | InChI=1S/C8H8BFO4/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10/h2-3,13-14H,1H3,(H,11,12) |
| InChI Key | KLHYMSYPRCYQQZ-UHFFFAOYSA-N |
| MDL Number | MFCD19440934 |
| Molecular Formula | C8H8BFO4 |
| Molecular Weight | 197.9561 |
| SMILES | O=C(O)C1=CC(F)=C(C)C(B(O)O)=C1 |
| Synonyms | 3-Borono-5-fluoro-4-methylbenzoic acid,
917223-87-1,
Benzoic acid, 3-borono-5-fluoro-4-methyl-,
SCHEMBL1881822,
DTXSID20736596,
KLHYMSYPRCYQQZ-UHFFFAOYSA-N,
KS-000011LE,
5470AC,
MFCD19440934,
AKOS016012016,
ZINC169990023,
FCH1133636,
AK123035,
AS-33361,
DA-18179,
AX8247213,
FT-0754248,
C8H8BFO4,
3-Borono-5-fluoro-4-methylbenzoicacid,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.956g/mol |
| Monoisotopic Mass | 198.05g/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