| CAS Number | 911210-48-5 |
| Catalog Number | AG00IGHS(AGN-PC-0WOFXY) |
| Chemical Name | (3-cyano-4-methoxyphenyl)boronicacid |
| IUPAC Name | (3-cyano-4-methoxyphenyl)boronic acid |
| InChI | InChI=1S/C8H8BNO3/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-4,11-12H,1H3 |
| InChI Key | BBOOIZOUHWDLHU-UHFFFAOYSA-N |
| MDL Number | MFCD10697415 |
| Molecular Formula | C8H8BNO3 |
| Molecular Weight | 176.9650 |
| SMILES | B(c1ccc(c(c1)C#N)OC)(O)O |
| Synonyms | 3-Cyano-4-methoxyphenylboronic acid,
911210-48-5,
(3-CYANO-4-METHOXYPHENYL)BORONIC ACID,
(3-cyano-4-methoxyphenyl)boronicacid,
Boronic acid, B-(3-cyano-4-methoxyphenyl)-,
SCHEMBL3274361,
BBOOIZOUHWDLHU-UHFFFAOYSA-N,
MFCD10697415,
AKOS006302271,
ZINC199020323,
AB59553,
FT-0749489,
Z-2896,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.966g/mol |
| Monoisotopic Mass | 177.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number