| CAS Number | 1031747-45-1 |
| Catalog Number | AG00S3UK(AGN-PC-3H45A0) |
| Chemical Name | N-[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanecarboxamide |
| IUPAC Name | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanecarboxamide |
| InChI | InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-9-13(10-8-12)18-14(19)11-5-6-11/h7-11H,5-6H2,1-4H3,(H,18,19) |
| InChI Key | RJSATIBIHHUZRQ-UHFFFAOYSA-N |
| MDL Number | MFCD14585586 |
| Molecular Formula | C16H22BNO3 |
| Molecular Weight | 287.1618 |
| SMILES | CC1(OB(OC1(C)C)C1=CC=C(C=C1)NC(=O)C1CC1)C |
| Synonyms | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanecarboxamide,
1031747-45-1,
SCHEMBL2697609,
RJSATIBIHHUZRQ-UHFFFAOYSA-N,
AS-55394,
N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanecarboxamide,
Cyclopropanecarboxylic acid [4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amide,
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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 | 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 | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number