| CAS Number | 2096340-23-5 |
| Catalog Number | AG01EHNY |
| Chemical Name | 4-Chloro-2-(N-cyclohexylaminomethyl)phenylboronic acid, pinacol ester |
| IUPAC Name | N-[[5-chloro-2-(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)17-11-10-15(21)12-14(17)13-22-16-8-6-5-7-9-16/h10-12,16,22H,5-9,13H2,1-4H3 |
| InChI Key | YAYRNAJXYNYNAW-UHFFFAOYSA-N |
| MDL Number | MFCD20441915 |
| Molecular Formula | C19H29BClNO2 |
| Molecular Weight | 349.7031 |
| SMILES | ClC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(CNC3CCCCC3)=C1 |
| Synonyms | 4-Chloro-2-(N-cyclohexylaminomethyl)phenylboronic acid, pinacol ester,
2096340-23-5,
N-(5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)cyclohexanamine,
MFCD20441915,
AKOS027355688,
ZINC169956001,
B-9718,
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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