| CAS Number | 1449144-47-1 |
| Catalog Number | AG00HXB3(AGN-PC-0WR1CX) |
| Chemical Name | {3-[(4-bromophenyl)carbamoyl]-4-fluorophenyl}boronic acid |
| IUPAC Name | [3-[(4-bromophenyl)carbamoyl]-4-fluorophenyl]boronic acid |
| InChI | InChI=1S/C13H10BBrFNO3/c15-9-2-4-10(5-3-9)17-13(18)11-7-8(14(19)20)1-6-12(11)16/h1-7,19-20H,(H,17,18) |
| InChI Key | AWDZAIRJKJXYHF-UHFFFAOYSA-N |
| MDL Number | MFCD20040193 |
| Molecular Formula | C13H10BBrFNO3 |
| Molecular Weight | 337.9368 |
| SMILES | Brc1ccc(cc1)NC(=O)c1cc(ccc1F)B(O)O |
| Synonyms | 1449144-47-1,
3-(4-Bromophenylcarbamoyl)-4-fluorobenzeneboronic acid,
(3-((4-Bromophenyl)carbamoyl)-4-fluorophenyl)boronic acid,
{3-[(4-bromophenyl)carbamoyl]-4-fluorophenyl}boronic acid,
ZINC169744255,
ACN-043259,
AS-55724,
3-(4-Bromophenylcarbamoyl)-4-fluorobenzeneboronic acid, 97%,
3-(4-Bromophenylcarbamoyl)-4-fluorobenzeneboronicacid,
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| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.99211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.94g/mol |
| Monoisotopic Mass | 336.99211g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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