| CAS Number | 2096334-39-1 |
| Catalog Number | AG01EJIA |
| Chemical Name | 4-Chloro-2-(aminomethyl)phenylboronic acid, pinacol ester |
| IUPAC Name | [5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine |
| InChI | InChI=1S/C13H19BClNO2/c1-12(2)13(3,4)18-14(17-12)11-6-5-10(15)7-9(11)8-16/h5-7H,8,16H2,1-4H3 |
| InChI Key | OIOPKOIZMBWBRC-UHFFFAOYSA-N |
| MDL Number | MFCD18730152 |
| Molecular Formula | C13H19BClNO2 |
| Molecular Weight | 267.5595 |
| SMILES | NCc1cc(Cl)ccc1B1OC(C(O1)(C)C)(C)C |
| Synonyms | 2096334-39-1,
4-Chloro-2-(aminomethyl)phenylboronic acid, pinacol ester,
(5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine,
MFCD18730152,
ZINC169965022,
B-9743,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.56g/mol |
| Monoisotopic Mass | 267.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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