| CAS Number | 1704069-55-5 |
| Catalog Number | AG00ARU6(AGN-PC-0WCRNL) |
| Chemical Name | (3-((3-(Trifluoromethoxy)phenyl)carbamoyl)phenyl)boronic acid |
| IUPAC Name | [3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H11BF3NO4/c16-14(17,18)23-12-6-2-5-11(8-12)19-13(20)9-3-1-4-10(7-9)15(21)22/h1-8,21-22H,(H,19,20) |
| InChI Key | YYUDHKUGUSYLJD-UHFFFAOYSA-N |
| MDL Number | MFCD28384305 |
| Molecular Formula | C14H11BF3NO4 |
| Molecular Weight | 325.0476 |
| SMILES | O=C(c1cccc(c1)B(O)O)Nc1cccc(c1)OC(F)(F)F |
| Synonyms | (3-((3-(trifluoromethoxy)phenyl)carbamoyl)phenyl)boronic acid,
1704069-55-5,
MFCD28384305,
AKOS025286716,
ZINC230543443,
AM88387,
CS-0062243,
1704069-56-6,
|
| Complexity | 408 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.05g/mol |
| Monoisotopic Mass | 325.073g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number