| CAS Number | 57899-14-6 |
| Catalog Number | AG019V2P(AGN-PC-0WO2PW) |
| Chemical Name | 7-chloro-5-(chloromethyl)-2-methyl-2,3-dihydro-1-benzofuran |
| IUPAC Name | 7-chloro-5-(chloromethyl)-2-methyl-2,3-dihydro-1-benzofuran |
| InChI | InChI=1S/C10H10Cl2O/c1-6-2-8-3-7(5-11)4-9(12)10(8)13-6/h3-4,6H,2,5H2,1H3 |
| InChI Key | BWNOBYIFQYAFPW-UHFFFAOYSA-N |
| MDL Number | MFCD11858105 |
| Molecular Formula | C10H10Cl2O |
| Molecular Weight | 217.0918 |
| SMILES | CC1OC2=C(C=C(C=C2Cl)CCl)C1 |
| Synonyms | 7-chloro-5-(chloromethyl)-2-methyl-2,3-dihydro-1-benzofuran,
57899-14-6,
AC1Q2QPG,
CTK6H6530,
Benzofuran, 7-chloro-5-(chloromethyl)-2,3-dihydro-2-methyl-,
AKOS026726974,
NE42756,
EN300-43551,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.089g/mol |
| Monoisotopic Mass | 216.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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