| CAS Number | 851756-51-9 |
| Catalog Number | AG00GALL(AGN-PC-0OJPPI) |
| Chemical Name | Boronic acid, (2-chloro-6-methylphenyl)- |
| IUPAC Name | (2-chloro-6-methylphenyl)boronic acid |
| InChI | InChI=1S/C7H8BClO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,10-11H,1H3 |
| InChI Key | XYDCLLBIQICNJF-UHFFFAOYSA-N |
| MDL Number | MFCD06797217 |
| Molecular Formula | C7H8BClO2 |
| Molecular Weight | 170.4012 |
| SMILES | CC1=C(B(O)O)C(Cl)=CC=C1 |
| Synonyms | 851756-51-9,
2-Chloro-6-methylphenylboronic acid,
(2-Chloro-6-methylphenyl)boronic acid,
SCHEMBL15750735,
ZINC216060941,
B-(2-Chloro-6-methylphenyl)boronic acid,
Boronic acid, (2-chloro-6-methylphenyl)-,
J-519643,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.399g/mol |
| Monoisotopic Mass | 170.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number