| CAS Number | 1637208-14-0 |
| Catalog Number | AG001UCF(AGN-PC-0WAJ3G) |
| Chemical Name | 3-Cyano-4-hydroxyphenylboronic acid |
| IUPAC Name | (3-cyano-4-hydroxyphenyl)boronic acid |
| InChI | InChI=1S/C7H6BNO3/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-3,10-12H |
| InChI Key | PGIZXBPAULHTKH-UHFFFAOYSA-N |
| MDL Number | MFCD18394168 |
| Molecular Formula | C7H6BNO3 |
| Molecular Weight | 162.9384 |
| SMILES | OB(C1=CC=C(O)C(C#N)=C1)O |
| Synonyms | 1637208-14-0,
(3-Cyano-4-hydroxyphenyl)boronic acid,
3-cyano-4-hydroxyphenylboronic acid,
SCHEMBL13139989,
ZINC217944350,
Boronic acid, B-(3-cyano-4-hydroxyphenyl)-,
(3-cyano-4-hydroxyphenyl)boronicacid,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.939g/mol |
| Monoisotopic Mass | 163.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number