| CAS Number | 2096337-34-5 |
| Catalog Number | AG01EHNN |
| Chemical Name | 2-Chloro-4-(N-cyclopentylaminomethyl)phenylboronic acid, pinacol ester |
| IUPAC Name | N-[[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopentanamine |
| InChI | InChI=1S/C18H27BClNO2/c1-17(2)18(3,4)23-19(22-17)15-10-9-13(11-16(15)20)12-21-14-7-5-6-8-14/h9-11,14,21H,5-8,12H2,1-4H3 |
| InChI Key | VSJUQHMCWKBJQF-UHFFFAOYSA-N |
| MDL Number | MFCD18311893 |
| Molecular Formula | C18H27BClNO2 |
| Molecular Weight | 335.6765 |
| SMILES | ClC1=CC(CNC2CCCC2)=CC=C1B3OC(C)(C)C(C)(C)O3 |
| Synonyms | 2-Chloro-4-(N-cyclopentylaminomethyl)phenylboronic acid, pinacol ester,
2096337-34-5,
N-(3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)cyclopentanamine,
MFCD18311893,
ZINC169936590,
B-9527,
N/A,
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| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.182g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.679g/mol |
| Monoisotopic Mass | 335.182g/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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