| CAS Number | 854371-84-9 |
| Catalog Number | AG01FFY4(AGN-PC-0V0LKD) |
| Chemical Name | 1,3,2-Dioxaborolane, 2-[4-[(2-chlorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl- |
| IUPAC Name | 2-[4-[(2-chlorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C19H22BClO3/c1-18(2)19(3,4)24-20(23-18)15-9-11-16(12-10-15)22-13-14-7-5-6-8-17(14)21/h5-12H,13H2,1-4H3 |
| InChI Key | ZPECTTVZGMQBHZ-UHFFFAOYSA-N |
| MDL Number | MFCD22494050 |
| Molecular Formula | C19H22BClO3 |
| Molecular Weight | 344.6402 |
| SMILES | ClC1=C(C=CC=C1)COC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 854371-84-9,
SCHEMBL1658125,
AS-55498,
1,3,2-Dioxaborolane, 2-[4-[(2-chlorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl-,
2-{4-[(2-chlorophenyl)methoxy]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
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| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.642g/mol |
| Monoisotopic Mass | 344.135g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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