| CAS Number | 1107041-07-5 |
| Catalog Number | AG00947T(AGN-PC-0WRAEI) |
| Chemical Name | 4-(2-METHOXYPHENYL)PHENYLBORONIC ACID |
| IUPAC Name | [4-(2-methoxyphenyl)phenyl]boronic acid |
| InChI | InChI=1S/C13H13BO3/c1-17-13-5-3-2-4-12(13)10-6-8-11(9-7-10)14(15)16/h2-9,15-16H,1H3 |
| InChI Key | QBMUOUYHVBGWDH-UHFFFAOYSA-N |
| MDL Number | MFCD08701729 |
| Molecular Formula | C13H13BO3 |
| Molecular Weight | 228.0515 |
| SMILES | COc1ccccc1c1ccc(cc1)B(O)O |
| Synonyms | 4-(2-METHOXYPHENYL)PHENYLBORONIC ACID,
1107041-07-5,
(2'-Methoxybiphenyl-4-yl)boronic acid,
QBMUOUYHVBGWDH-UHFFFAOYSA-N,
MFCD08701729,
AKOS004113885,
ZINC169844719,
OR361390,
Z7317,
K-0693,
C13H13BO3,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.054g/mol |
| Monoisotopic Mass | 228.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.7A^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