| CAS Number | 2096339-85-2 |
| Catalog Number | AG01EHEX |
| Chemical Name | 4-Cyano-3-isopropoxyphenylboronic acid |
| IUPAC Name | (4-cyano-3-propan-2-yloxyphenyl)boronic acid |
| InChI | InChI=1S/C10H12BNO3/c1-7(2)15-10-5-9(11(13)14)4-3-8(10)6-12/h3-5,7,13-14H,1-2H3 |
| InChI Key | XRTVNVUITJLVSU-UHFFFAOYSA-N |
| MDL Number | MFCD19684098 |
| Molecular Formula | C10H12BNO3 |
| Molecular Weight | 205.0182 |
| SMILES | N#Cc1ccc(cc1OC(C)C)B(O)O |
| Synonyms | 4-Cyano-3-isopropoxyphenylboronic acid,
2096339-85-2,
(4-Cyano-3-isopropoxyphenyl)boronic acid,
MFCD19684098,
ZINC169794744,
Y2736,
A-2709,
4-Cyano-3-isopropoxyphenylboronic acid, AldrichCPR,
C10H12BNO3,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.02g/mol |
| Monoisotopic Mass | 205.091g/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
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