| CAS Number | 2096334-42-6 |
| Catalog Number | AG01EHBV |
| Chemical Name | 2-Chloro-4-(N-cyclohexylaminomethyl)phenylboronic acid, pinacol ester |
| IUPAC Name | N-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine |
| InChI | InChI=1S/C19H29BClNO2/c1-18(2)19(3,4)24-20(23-18)16-11-10-14(12-17(16)21)13-22-15-8-6-5-7-9-15/h10-12,15,22H,5-9,13H2,1-4H3 |
| InChI Key | DWPRAXKEEPZKFD-UHFFFAOYSA-N |
| MDL Number | MFCD18311895 |
| Molecular Formula | C19H29BClNO2 |
| Molecular Weight | 349.7031 |
| SMILES | ClC1=CC(CNC2CCCCC2)=CC=C1B3OC(C)(C)C(C)(C)O3 |
| Synonyms | 2-Chloro-4-(N-cyclohexylaminomethyl)phenylboronic acid, pinacol ester,
2096334-42-6,
N-(3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)cyclohexanamine,
MFCD18311895,
ZINC169936597,
B-9529,
N/A,
|
| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.198g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.706g/mol |
| Monoisotopic Mass | 349.198g/mol |
| Rotatable Bond Count | 4 |
| 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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