| CAS Number | 2096333-97-8 |
| Catalog Number | AG01EHF3 |
| Chemical Name | 1-(5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-N-methylmethanamine |
| IUPAC Name | 1-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methylmethanamine |
| InChI | InChI=1S/C14H21BClNO2/c1-13(2)14(3,4)19-15(18-13)12-7-6-11(16)8-10(12)9-17-5/h6-8,17H,9H2,1-5H3 |
| InChI Key | OHZKMNHCVJCOBS-UHFFFAOYSA-N |
| MDL Number | MFCD18730284 |
| Molecular Formula | C14H21BClNO2 |
| Molecular Weight | 281.5860 |
| SMILES | ClC=1C=CC(=C(C1)CNC)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 2096333-97-8,
4-Chloro-2-(N-methylaminomethyl)phenylboronic acid, pinacol ester,
1-(5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-N-methylmethanamine,
MFCD18730284,
ZINC169956035,
B-9726,
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| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.587g/mol |
| Monoisotopic Mass | 281.135g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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