| CAS Number | 882678-73-1 |
| Catalog Number | AG019EU1(AGN-PC-0WCRNK) |
| Chemical Name | (3-((3-(Trifluoromethyl)phenyl)carbamoyl)phenyl)boronic acid |
| IUPAC Name | [3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H11BF3NO3/c16-14(17,18)10-4-2-6-12(8-10)19-13(20)9-3-1-5-11(7-9)15(21)22/h1-8,21-22H,(H,19,20) |
| InChI Key | SFOKKGMXRCKLIA-UHFFFAOYSA-N |
| MDL Number | MFCD28384304 |
| Molecular Formula | C14H11BF3NO3 |
| Molecular Weight | 309.0482 |
| SMILES | O=C(C1=CC(B(O)O)=CC=C1)NC2=CC=CC(C(F)(F)F)=C2 |
| Synonyms | (3-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)boronic acid,
882678-73-1,
(3-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)boronic acid,
SCHEMBL5492560,
SFOKKGMXRCKLIA-UHFFFAOYSA-N,
MFCD28384304,
ZINC196162463,
AM87361,
AS-55402,
CS-0062244,
3-((3-(trifluoromethyl)phenyl)carbamoyl)phenylboronic acid,
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| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.051g/mol |
| Monoisotopic Mass | 309.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.6A^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