| CAS Number | 871125-96-1 |
| Catalog Number | AG004TYZ(AGN-PC-06KD4T) |
| Chemical Name | 4-(3-Chlorophenylmethoxy)phenylboronic acid |
| IUPAC Name | [4-[(3-chlorophenyl)methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C13H12BClO3/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-8,16-17H,9H2 |
| InChI Key | DFIQBPGCTYISHA-UHFFFAOYSA-N |
| MDL Number | MFCD10698491 |
| Molecular Formula | C13H12BClO3 |
| Molecular Weight | 262.4966 |
| SMILES | Clc1cccc(c1)COc1ccc(cc1)B(O)O |
| Synonyms | 871125-96-1,
(4-((3-Chlorobenzyl)oxy)phenyl)boronic acid,
4-(3-CHLOROPHENYLMETHOXY)PHENYLBORONIC ACID,
SCHEMBL2563261,
CTK5F7831,
DTXSID70655849,
ANW-66003,
KM2481,
MFCD10698491,
AKOS009319814,
ZINC169922475,
AB62229,
TR-038096,
X2587,
{4-[(3-Chlorophenyl)methoxy]phenyl}boronic acid,
4-(3'-CHLOROBENZYLOXY)PHENYLBORONIC ACID,
C13H12BClO3,
(4-((3-Chlorobenzyl)oxy)phenyl)boronicacid,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.496g/mol |
| Monoisotopic Mass | 262.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^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