| CAS Number | 1803179-52-3 |
| Catalog Number | AG00I018(AGN-PC-0WQZ6Y) |
| Chemical Name | (1-Phenyl-1,3-benzodiazol-5-yl)boronic acid |
| IUPAC Name | (1-phenylbenzimidazol-5-yl)boronic acid |
| InChI | InChI=1S/C13H11BN2O2/c17-14(18)10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h1-9,17-18H |
| InChI Key | SNTPKDXAJMSHAK-UHFFFAOYSA-N |
| MDL Number | MFCD27935833 |
| Molecular Formula | C13H11BN2O2 |
| Molecular Weight | 238.0496 |
| SMILES | OB(c1ccc2c(c1)ncn2c1ccccc1)O |
| Synonyms | (1-Phenyl-1,3-benzodiazol-5-yl)boronic acid,
1803179-52-3,
ZINC170002189,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.053g/mol |
| Monoisotopic Mass | 238.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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