| CAS Number | 1404227-24-2 |
| Catalog Number | AG01FGM0(AGN-PC-3H5E68) |
| Chemical Name | 2-(4-Chlorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione |
| IUPAC Name | 2-(4-chlorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione |
| InChI | InChI=1S/C11H11BClNO4/c1-14-6-10(15)17-12(18-11(16)7-14)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3 |
| InChI Key | AZNGOMKOQANLLQ-UHFFFAOYSA-N |
| MDL Number | MFCD15144794 |
| Molecular Formula | C11H11BClNO4 |
| Molecular Weight | 267.4733 |
| SMILES | B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(C=C2)Cl |
| Synonyms | 2-(4-chlorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione,
1257651-06-1,
1404227-24-2,
4-Chlorophenylboronic acid MIDA ester,
AMTB479,
KS-000022IV,
MFCD15144794,
AKOS022168224,
ZINC169810448,
AS-2874,
OR310502,
4-Chlorophenylboronic acid MIDA ester, 97%,
C11H11BClNO4,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.472g/mol |
| Monoisotopic Mass | 267.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number