| CAS Number | 2096335-50-9 |
| Catalog Number | AG01EHF4 |
| Chemical Name | 4-Cyano-3-isobutoxyphenylboronic acid |
| IUPAC Name | [4-cyano-3-(2-methylpropoxy)phenyl]boronic acid |
| InChI | InChI=1S/C11H14BNO3/c1-8(2)7-16-11-5-10(12(14)15)4-3-9(11)6-13/h3-5,8,14-15H,7H2,1-2H3 |
| InChI Key | JYPWKDQSQZTZGZ-UHFFFAOYSA-N |
| MDL Number | MFCD19684100 |
| Molecular Formula | C11H14BNO3 |
| Molecular Weight | 219.0448 |
| SMILES | OB(C1=CC=C(C#N)C(OCC(C)C)=C1)O |
| Synonyms | 4-Cyano-3-isobutoxyphenylboronic acid,
2096335-50-9,
(4-Cyano-3-isobutoxyphenyl)boronic acid,
MFCD19684100,
AKOS027345010,
ZINC169955194,
Y2735,
A-2708,
C11H14BNO3,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.047g/mol |
| Monoisotopic Mass | 219.107g/mol |
| Rotatable Bond Count | 4 |
| 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