| CAS Number | 1604722-17-9 |
| Catalog Number | AG01C2FF |
| Chemical Name | 2-(3-Chlorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione |
| IUPAC Name | 2-(3-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)8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3 |
| InChI Key | MFTTTXKHIMZGGS-UHFFFAOYSA-N |
| MDL Number | MFCD27957324 |
| Molecular Formula | C11H11BClNO4 |
| Molecular Weight | 267.4733 |
| SMILES | CN1CC(=O)OB(C2=CC(Cl)=CC=C2)OC(=O)C1 |
| Synonyms | 2-(3-chlorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione,
1604722-17-9,
AMTB486,
KS-000022IR,
MFCD27957324,
AKOS022168238,
ZINC169810446,
AS-2870,
2-(3-Chlorophenyl)-6-methyl-1,3-dioxa-2-bora-6-azacyclooctane-4,8-dione,
C11H11BClNO4,
|
| Complexity | 321 |
| 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