| CAS Number | 854778-29-3 |
| Catalog Number | AG008F1K(AGN-PC-07ATTP) |
| Chemical Name | Boronic acid,B-(2-chloro-3-hydroxyphenyl)- |
| IUPAC Name | (2-chloro-3-hydroxyphenyl)boronic acid |
| InChI | InChI=1S/C6H6BClO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9-11H |
| InChI Key | GKXYVKGHSCGXGC-UHFFFAOYSA-N |
| MDL Number | MFCD16878035 |
| Molecular Formula | C6H6BClO3 |
| Molecular Weight | 172.3740 |
| SMILES | ClC1=C(C=CC=C1O)B(O)O |
| Synonyms | 854778-29-3,
(2-Chloro-3-hydroxyphenyl)boronic acid,
2-CHLORO-3-HYDROXYPHENYLBORONIC ACID,
Boronic acid,B-(2-chloro-3-hydroxyphenyl)-,
SCHEMBL1125157,
CTK5F5093,
DTXSID50668957,
ZINC197994419,
(2-Chloro-3-hydroxyphenyl)-boronic acid,
Boronicacid, -,
Boronic acid, (2-chloro-3-hydroxyphenyl)- (9CI),
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| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.371g/mol |
| Monoisotopic Mass | 172.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number