| CAS Number | 58023-29-3 |
| Catalog Number | AG019V2Q(AGN-PC-0WOB7L) |
| Chemical Name | 7-chloro-5-(chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran |
| IUPAC Name | 7-chloro-5-(chloromethyl)-2,2-dimethyl-3H-1-benzofuran |
| InChI | InChI=1S/C11H12Cl2O/c1-11(2)5-8-3-7(6-12)4-9(13)10(8)14-11/h3-4H,5-6H2,1-2H3 |
| InChI Key | JMVAWMGMUAWRNU-UHFFFAOYSA-N |
| MDL Number | MFCD11858107 |
| Molecular Formula | C11H12Cl2O |
| Molecular Weight | 231.1184 |
| SMILES | CC1(OC2=C(C=C(C=C2Cl)CCl)C1)C |
| Synonyms | 7-chloro-5-(chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran,
58023-29-3,
AC1Q2CMW,
CTK6H6529,
7-chloro-5-chloromethyl-2,2-dimethyl-2,3-dihydro-benzofuran,
ZINC32625235,
AKOS026729685,
NE21991,
EN300-43554,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.116g/mol |
| Monoisotopic Mass | 230.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number