| CAS Number | 1409999-52-5 |
| Catalog Number | AG00QGGY(AGN-PC-3H4G24) |
| Chemical Name | N-[4-chloro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,2-dimethylpropanamide |
| IUPAC Name | N-[4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,2-dimethylpropanamide |
| InChI | InChI=1S/C17H25BClNO3/c1-15(2,3)14(21)20-13-9-8-11(19)10-12(13)18-22-16(4,5)17(6,7)23-18/h8-10H,1-7H3,(H,20,21) |
| InChI Key | XFYJYUOGOHTUJP-UHFFFAOYSA-N |
| MDL Number | MFCD23380464 |
| Molecular Formula | C17H25BClNO3 |
| Molecular Weight | 337.6493 |
| SMILES | CC(C)(C)C(NC1=CC=C(Cl)C=C1B2OC(C)(C)C(C)(C)O2)=O |
| Synonyms | 1409999-52-5,
5-Chloro-2-(pivaloylamino)phenylboronic acid pinacol ester,
N-(4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pivalamide,
SCHEMBL13720972,
N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)-4-chlorophenyl]pivalamide,
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| Complexity | 445 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.161602g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.6g/mol |
| Monoisotopic Mass | 337.161602g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number