| CAS Number | 849052-25-1 |
| Catalog Number | AG008FSD(AGN-PC-00UQNW) |
| Chemical Name | 4-((4'-Chloro-3'-methylphenoxy)methyl)phenylboronic acid |
| IUPAC Name | [4-[(4-chloro-3-methylphenoxy)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H14BClO3/c1-10-8-13(6-7-14(10)16)19-9-11-2-4-12(5-3-11)15(17)18/h2-8,17-18H,9H2,1H3 |
| InChI Key | OUKUADBAEFEIGP-UHFFFAOYSA-N |
| MDL Number | MFCD14585463 |
| Molecular Formula | C14H14BClO3 |
| Molecular Weight | 276.5232 |
| SMILES | CC1=CC(OCC2=CC=C(B(O)O)C=C2)=CC=C1Cl |
| Synonyms | 849052-25-1,
(4-((4-Chloro-3-methylphenoxy)methyl)phenyl)boronic acid,
4-[(4-Chloro-3-methylphenoxy)methyl]phenylboronic acid,
4-((4'-Chloro-3'-methylphenoxy)methyl)phenylboronic acid,
4-((4-Chloro-3-methylphenoxy)methyl)phenylboronic acid,
SCHEMBL177467,
CTK8B2415,
ANW-37883,
AKOS010794914,
ZINC169877223,
RTR-026286,
BP-12102,
OR360966,
AX8280850,
BC4303626,
TR-026286,
X2315,
4-((4'-CHLORO-3'-METHYLPHENOXY)METHYL)P&,
C14H14BClO3,
4-( P&,
871126-05-5,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.523g/mol |
| Monoisotopic Mass | 276.072g/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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number