| CAS Number | 1256358-71-0 |
| Catalog Number | AG000O5D(AGN-PC-09PV7M) |
| Chemical Name | 2-(4-chlorophenoxymethyl)phenylboronic acid |
| IUPAC Name | [2-[(4-chlorophenoxy)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H12BClO3/c15-11-5-7-12(8-6-11)18-9-10-3-1-2-4-13(10)14(16)17/h1-8,16-17H,9H2 |
| InChI Key | KYMMZJKTVPTAKX-UHFFFAOYSA-N |
| MDL Number | MFCD16198501 |
| Molecular Formula | C13H12BClO3 |
| Molecular Weight | 262.4966 |
| SMILES | Clc1ccc(cc1)OCc1ccccc1B(O)O |
| Synonyms | 1256358-71-0,
(2-((4-Chlorophenoxy)methyl)phenyl)boronic acid,
2-(4-CHLOROPHENOXYMETHYL)PHENYLBORONIC ACID,
{2-[(4-Chlorophenoxy)methyl]phenyl}boronic acid,
SCHEMBL2562456,
CTK4B4679,
DTXSID50681343,
ANW-66032,
MFCD16198501,
AKOS005974496,
ZINC169926323,
AX8236208,
TR-035342,
X1989,
C13H12BClO3,
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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 |
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Certificate of Analysis
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