| CAS Number | 1704069-57-7 |
| Catalog Number | AG00AR7S(AGN-PC-0WCRNN) |
| Chemical Name | {3-[(3-methoxyphenyl)carbamoyl]phenyl}boronic acid |
| IUPAC Name | [3-[(3-methoxyphenyl)carbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H14BNO4/c1-20-13-7-3-6-12(9-13)16-14(17)10-4-2-5-11(8-10)15(18)19/h2-9,18-19H,1H3,(H,16,17) |
| InChI Key | WDLAMKPWOUMLHK-UHFFFAOYSA-N |
| MDL Number | MFCD28384307 |
| Molecular Formula | C14H14BNO4 |
| Molecular Weight | 271.0763 |
| SMILES | O=C(C2=CC(B(O)O)=CC=C2)NC1=CC=CC(OC)=C1 |
| Synonyms | (3-((3-methoxyphenyl)carbamoyl)phenyl)boronic acid,
1704069-57-7,
{3-[(3-methoxyphenyl)carbamoyl]phenyl}boronic acid,
MFCD28384307,
ZINC230543548,
AM88386,
AS-55315,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.079g/mol |
| Monoisotopic Mass | 271.102g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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