| CAS Number | 1072951-91-7 |
| Catalog Number | AG003IRF(AGN-PC-0WA7VM) |
| Chemical Name | 3-[(4-Chloro-3-methylphenoxy)methyl]phenylboronic acid |
| IUPAC Name | [3-[(4-chloro-3-methylphenoxy)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H14BClO3/c1-10-7-13(5-6-14(10)16)19-9-11-3-2-4-12(8-11)15(17)18/h2-8,17-18H,9H2,1H3 |
| InChI Key | MLTCJWUQGYLPLF-UHFFFAOYSA-N |
| MDL Number | MFCD09265140 |
| Molecular Formula | C14H14BClO3 |
| Molecular Weight | 276.5232 |
| SMILES | OB(C1=CC=CC(COC2=CC=C(Cl)C(C)=C2)=C1)O |
| Synonyms | 3-[(4-Chloro-3-methylphenoxy)methyl]phenylboronic acid,
1072951-91-7,
ACMC-2098ty,
SCHEMBL9893556,
CTK4A5310,
DTXSID50584901,
ANW-15716,
MFCD09265140,
AKOS010794911,
ZINC169903712,
RTR-001649,
OR360965,
BC4303624,
TR-001649,
Z7092,
K-0568,
I04-2599,
{3-[(4-Chloro-3-methylphenoxy)methyl]phenyl}boronic acid,
C14H14BClO3,
|
| Complexity | 277 |
| 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
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Certificate of Analysis
Lot Number