| CAS Number | 819070-53-6 |
| Catalog Number | AG00566R(AGN-PC-0WAA7K) |
| Chemical Name | 4-Chloro-2-cyanophenylboronic acid |
| IUPAC Name | (4-chloro-2-cyanophenyl)boronic acid |
| InChI | InChI=1S/C7H5BClNO2/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3,11-12H |
| InChI Key | SWBTXCSSSBWRQF-UHFFFAOYSA-N |
| MDL Number | MFCD10696656 |
| Molecular Formula | C7H5BClNO2 |
| Molecular Weight | 181.3841 |
| SMILES | OB(C1=C(C#N)C=C(Cl)C=C1)O |
| Synonyms | 4-Chloro-2-cyanophenylboronic acid,
819070-53-6,
(4-chloro-2-cyanophenyl)boronic acid,
ACMC-209pml,
SCHEMBL1973766,
CTK8B2361,
DTXSID00717060,
ANW-37483,
FCH881597,
AKOS006304585,
ZINC169978247,
AB57852,
OR360915,
TC-126228,
V7865,
C7H5BClNO2,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.382g/mol |
| Monoisotopic Mass | 181.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.2A^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