| CAS Number | 1073372-08-3 |
| Catalog Number | AG003S96(AGN-PC-07XTZI) |
| Chemical Name | N-(2-Cyanoethyl)-4-(1,3,2-dioxaborinan-2-yl)benzamide |
| IUPAC Name | N-(2-cyanoethyl)-4-(1,3,2-dioxaborinan-2-yl)benzamide |
| InChI | InChI=1S/C13H15BN2O3/c15-7-1-8-16-13(17)11-3-5-12(6-4-11)14-18-9-2-10-19-14/h3-6H,1-2,8-10H2,(H,16,17) |
| InChI Key | PFLGLNOIHGMWPX-UHFFFAOYSA-N |
| MDL Number | MFCD11053850 |
| Molecular Formula | C13H15BN2O3 |
| Molecular Weight | 258.0808 |
| SMILES | O=C(NCCC#N)C1=CC=C(B2OCCCO2)C=C1 |
| Synonyms | N-(2-Cyanoethyl)-4-(1,3,2-dioxaborinan-2-yl)benzamide,
1073372-08-3,
ACMC-2098vn,
C13H15BN2O3,
CTK4A5380,
DTXSID00674609,
ANW-15777,
MFCD11053850,
AKOS015836382,
ZINC169746628,
RTR-001791,
OR361015,
AX8231461,
TR-001791,
ST24025547,
Z7157,
A-4858,
I01-11270,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.084g/mol |
| Monoisotopic Mass | 258.118g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.4A^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