| CAS Number | 1260784-43-7 |
| Catalog Number | AG000R8O(AGN-PC-09T435) |
| Chemical Name | 1,3-Dichloro-5-(2-chloroethyl)benzene |
| IUPAC Name | 1,3-dichloro-5-(2-chloroethyl)benzene |
| InChI | InChI=1S/C8H7Cl3/c9-2-1-6-3-7(10)5-8(11)4-6/h3-5H,1-2H2 |
| InChI Key | RGVBVFDMCNQWMO-UHFFFAOYSA-N |
| MDL Number | MFCD11110015 |
| Molecular Formula | C8H7Cl3 |
| Molecular Weight | 209.5002 |
| SMILES | ClCCC1=CC(Cl)=CC(Cl)=C1 |
| Synonyms | 1,3-DICHLORO-5-(2-CHLOROETHYL)BENZENE,
1260784-43-7,
ZINC82955054,
AKOS014196899,
NE19022,
SC-12838,
Benzene, 1,3-dichloro-5-(2-chloroethyl)-,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.494g/mol |
| Monoisotopic Mass | 207.961g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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