| CAS Number | 2096338-63-3 |
| Catalog Number | AG01EHMJ |
| Chemical Name | 4-Cyano-3-ethoxyphenylboronic acid |
| IUPAC Name | (4-cyano-3-ethoxyphenyl)boronic acid |
| InChI | InChI=1S/C9H10BNO3/c1-2-14-9-5-8(10(12)13)4-3-7(9)6-11/h3-5,12-13H,2H2,1H3 |
| InChI Key | QYGXERVBFDZJNW-UHFFFAOYSA-N |
| MDL Number | MFCD19684099 |
| Molecular Formula | C9H10BNO3 |
| Molecular Weight | 190.9916 |
| SMILES | OB(C1=CC=C(C#N)C(OCC)=C1)O |
| Synonyms | 4-Cyano-3-ethoxyphenylboronic acid,
2096338-63-3,
(4-cyano-3-ethoxyphenyl)boronic acid,
MFCD19684099,
ZINC169794709,
Y2734,
4-Cyano-3-ethoxyphenylboronic acid, AldrichCPR,
A-2707,
C9H10BNO3,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.993g/mol |
| Monoisotopic Mass | 191.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number