| CAS Number | 1436612-57-5 |
| Catalog Number | AG00AQH2(AGN-PC-0WA6FO) |
| Chemical Name | 2-Chloro-4-nitrophenylboronic acid |
| IUPAC Name | (2-chloro-4-nitrophenyl)boronic acid |
| InChI | InChI=1S/C6H5BClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3,10-11H |
| InChI Key | UQGPTZONRAXNDF-UHFFFAOYSA-N |
| MDL Number | MFCD20529452 |
| Molecular Formula | C6H5BClNO4 |
| Molecular Weight | 201.3722 |
| SMILES | OB(C1=C(Cl)C=C([N+]([O-])=O)C=C1)O |
| Synonyms | 2-chloro-4-nitrophenylboronic acid,
1436612-57-5,
SCHEMBL15668271,
MFCD20529452,
AKOS025293777,
ZINC169955467,
FCH1611913,
OR360982,
V3259,
B-9603,
C6H5BClNO4,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.369g/mol |
| Monoisotopic Mass | 201g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 86.3A^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