| CAS Number | 2096337-36-7 |
| Catalog Number | AG01EHNG |
| Chemical Name | 2-Chloro-4-(N-t-butylaminomethyl)phenylboronic acid, pinacol ester |
| IUPAC Name | N-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2-methylpropan-2-amine |
| InChI | InChI=1S/C17H27BClNO2/c1-15(2,3)20-11-12-8-9-13(14(19)10-12)18-21-16(4,5)17(6,7)22-18/h8-10,20H,11H2,1-7H3 |
| InChI Key | DKJROSQAUOLZPM-UHFFFAOYSA-N |
| MDL Number | MFCD18311897 |
| Molecular Formula | C17H27BClNO2 |
| Molecular Weight | 323.6658 |
| SMILES | CC(NCC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(Cl)=C1)(C)C |
| Synonyms | 2096337-36-7,
2-Chloro-4-(N-t-butylaminomethyl)phenylboronic acid, pinacol ester,
N-(3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-2-methylpropan-2-amine,
ZINC169936608,
B-9518,
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| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.182337g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.7g/mol |
| Monoisotopic Mass | 323.182337g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 30.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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