| CAS Number | 849062-25-5 |
| Catalog Number | AG003J7M(AGN-PC-00UQM8) |
| Chemical Name | 3-Chloro-4-(3'-bromobenzyloxy)phenylboronic acid |
| IUPAC Name | [4-[(3-bromophenyl)methoxy]-3-chlorophenyl]boronic acid |
| InChI | InChI=1S/C13H11BBrClO3/c15-11-3-1-2-9(6-11)8-19-13-5-4-10(14(17)18)7-12(13)16/h1-7,17-18H,8H2 |
| InChI Key | HKBRUUCYKMOURT-UHFFFAOYSA-N |
| MDL Number | MFCD06411317 |
| Molecular Formula | C13H11BBrClO3 |
| Molecular Weight | 341.3926 |
| SMILES | Brc1cccc(c1)COc1ccc(cc1Cl)B(O)O |
| Synonyms | 849062-25-5,
3-Chloro-4-(3'-bromobenzyloxy)phenylboronic acid,
(4-((3-BROMOBENZYL)OXY)-3-CHLOROPHENYL)BORONIC ACID,
4-(3-Bromobenzyloxy)-3-chlorophenylboronic acid,
SCHEMBL257843,
CTK8B2428,
DTXSID10584548,
ANW-37909,
MFCD06411317,
AKOS015888928,
ZINC169877150,
AB25219,
RTR-026315,
X2337,
3-Chloro-4-(3-bromobenzyloxy)phenylboronic acid,
3-CHLORO-4-(3'-BROMOBENZYLOXY)PHENYLBOR&,
I01-16362,
{4-[(3-Bromophenyl)methoxy]-3-chlorophenyl}boronic acid,
C13H11BBrClO3,
3-CHLORO-4- PHENYLBOR&,
B-8300,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.392g/mol |
| Monoisotopic Mass | 339.967g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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