| CAS Number | 874288-04-7 |
| Catalog Number | AG01DUD1 |
| Chemical Name | Boronic acid, B-[4-[[(2-chlorophenyl)amino]carbonyl]phenyl]- |
| IUPAC Name | [4-[(2-chlorophenyl)carbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H11BClNO3/c15-11-3-1-2-4-12(11)16-13(17)9-5-7-10(8-6-9)14(18)19/h1-8,18-19H,(H,16,17) |
| InChI Key | XVMZTRLIHUGIFN-UHFFFAOYSA-N |
| MDL Number | MFCD31648861 |
| Molecular Formula | C13H11BClNO3 |
| Molecular Weight | 275.4953 |
| SMILES | C(=O)(Nc1c(Cl)cccc1)c1ccc(cc1)B(O)O |
| Synonyms | 874288-04-7,
AS-55441,
{4-[(2-chlorophenyl)carbamoyl]phenyl}boronic acid,
Boronic acid, B-[4-[[(2-chlorophenyl)amino]carbonyl]phenyl]-,
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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 | 275.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.495g/mol |
| Monoisotopic Mass | 275.052g/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
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