| CAS Number | 874288-00-3 |
| Catalog Number | AG01DUD0 |
| Chemical Name | {4-[(3-bromophenyl)carbamoyl]phenyl}boronic acid |
| IUPAC Name | [4-[(3-bromophenyl)carbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H11BBrNO3/c15-11-2-1-3-12(8-11)16-13(17)9-4-6-10(7-5-9)14(18)19/h1-8,18-19H,(H,16,17) |
| InChI Key | OZMICCDGUUNEKL-UHFFFAOYSA-N |
| MDL Number | MFCD31648860 |
| Molecular Formula | C13H11BBrNO3 |
| Molecular Weight | 319.9463 |
| SMILES | O=C(C1=CC=C(B(O)O)C=C1)NC2=CC=CC(Br)=C2 |
| Synonyms | 874288-00-3,
AS-55440,
4-(3-bromophenylcarbamoyl)phenylboronic acid,
{4-[(3-bromophenyl)carbamoyl]phenyl}boronic acid,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.949g/mol |
| Monoisotopic Mass | 319.002g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number