| CAS Number | 1072946-22-5 |
| Catalog Number | AG008523(AGN-PC-07XTV9) |
| Chemical Name | 6-(4-Methoxybenzylcarbamoyl)pyridine-3-boronic acid |
| IUPAC Name | [6-[(4-methoxyphenyl)methylcarbamoyl]pyridin-3-yl]boronic acid |
| InChI | InChI=1S/C14H15BN2O4/c1-21-12-5-2-10(3-6-12)8-17-14(18)13-7-4-11(9-16-13)15(19)20/h2-7,9,19-20H,8H2,1H3,(H,17,18) |
| InChI Key | JNXUVKTWNOJCPO-UHFFFAOYSA-N |
| MDL Number | MFCD10699628 |
| Molecular Formula | C14H15BN2O4 |
| Molecular Weight | 286.0909 |
| SMILES | O=C(C1=CC=C(B(O)O)C=N1)NCC2=CC=C(OC)C=C2 |
| Synonyms | 6-(4-Methoxybenzylcarbamoyl)pyridine-3-boronic acid,
1072946-22-5,
(6-((4-Methoxybenzyl)carbamoyl)pyridin-3-yl)boronic acid,
ACMC-2098rn,
SCHEMBL15331434,
CTK4A5240,
DTXSID00674462,
ANW-15633,
AKOS015852107,
ZINC169903907,
RTR-001566,
OR361318,
TR-001566,
X1539,
A-4555,
I01-11582,
(6-{[(4-Methoxyphenyl)methyl]carbamoyl}pyridin-3-yl)boronic acid,
C14H15BN2O4,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.094g/mol |
| Monoisotopic Mass | 286.112g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.7A^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