| CAS Number | 871125-90-5 |
| Catalog Number | AG008FFB(AGN-PC-06KD4Q) |
| Chemical Name | 4-(2-Chlorophenylmethoxy)phenylboronic acid |
| IUPAC Name | [4-[(2-chlorophenyl)methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C13H12BClO3/c15-13-4-2-1-3-10(13)9-18-12-7-5-11(6-8-12)14(16)17/h1-8,16-17H,9H2 |
| InChI Key | KJAUPLTZVSARIS-UHFFFAOYSA-N |
| MDL Number | MFCD11540655 |
| Molecular Formula | C13H12BClO3 |
| Molecular Weight | 262.4966 |
| SMILES | Clc1ccccc1COc1ccc(cc1)B(O)O |
| Synonyms | 871125-90-5,
(4-((2-Chlorobenzyl)oxy)phenyl)boronic acid,
4-(2-CHLOROPHENYLMETHOXY)PHENYLBORONIC ACID,
SCHEMBL2556153,
CTK5F7828,
DTXSID90655846,
ANW-66004,
MFCD11540655,
AKOS009319449,
ZINC169922463,
TR-038093,
X2585,
{4-[(2-Chlorophenyl)methoxy]phenyl}boronic acid,
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
Lot Number