| CAS Number | 1238196-66-1 |
| Catalog Number | AG000L46(AGN-PC-0WAA7Z) |
| Chemical Name | Boronic acid, B-(4-chloro-2-hydroxyphenyl)- |
| IUPAC Name | (4-chloro-2-hydroxyphenyl)boronic acid |
| InChI | InChI=1S/C6H6BClO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9-11H |
| InChI Key | XBNRJKSGOLRSRX-UHFFFAOYSA-N |
| MDL Number | MFCD18383546 |
| Molecular Formula | C6H6BClO3 |
| Molecular Weight | 172.3740 |
| SMILES | B(O)(O)c1c(O)cc(cc1)Cl |
| Synonyms | 4-Chloro-2-hydroxyphenylboronic acid,
1238196-66-1,
(4-chloro-2-hydroxyphenyl)boronic acid,
SCHEMBL2587772,
XBNRJKSGOLRSRX-UHFFFAOYSA-N,
MFCD18383546,
AKOS025293571,
ZINC169988632,
FCH1148209,
(4-chloro-2-hydroxyphenyl) boronic acid,
OR360938,
Boronicacid,B-(4-chloro-2-hydroxyphenyl)-,
Z8731,
Boronic acid, B-(4-chloro-2-hydroxyphenyl)-,
C6H6BClO3,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number