| CAS Number | 1628010-77-4 |
| Catalog Number | AG00HYSF(AGN-PC-0WQZY8) |
| Chemical Name | 1-[3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxamide |
| IUPAC Name | 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxamide |
| InChI | InChI=1S/C16H22BNO3/c1-14(2)15(3,4)21-17(20-14)12-7-5-6-11(10-12)16(8-9-16)13(18)19/h5-7,10H,8-9H2,1-4H3,(H2,18,19) |
| InChI Key | KNPDPAFCHPDENO-UHFFFAOYSA-N |
| MDL Number | MFCD24039917 |
| Molecular Formula | C16H22BNO3 |
| Molecular Weight | 287.1618 |
| SMILES | NC(=O)C1(CC1)c1cccc(c1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1-[3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxamide,
1628010-77-4,
SCHEMBL16056302,
ZINC170004525,
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| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.166g/mol |
| Monoisotopic Mass | 287.169g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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