| CAS Number | 42866-88-6 |
| Catalog Number | AG01AHJ6 |
| Chemical Name | 1-Chloro-3-(2,2-dimethoxyethyl)benzene |
| IUPAC Name | 1-chloro-3-(2,2-dimethoxyethyl)benzene |
| InChI | InChI=1S/C10H13ClO2/c1-12-10(13-2)7-8-4-3-5-9(11)6-8/h3-6,10H,7H2,1-2H3 |
| InChI Key | HXFDKNFRSDFQDE-UHFFFAOYSA-N |
| MDL Number | MFCD18785490 |
| Molecular Formula | C10H13ClO2 |
| Molecular Weight | 200.6620 |
| SMILES | COC(OC)CC1=CC(Cl)=CC=C1 |
| Synonyms | 1-chloro-3-(2,2-dimethoxyethyl)benzene,
42866-88-6,
ZINC62152094,
AKOS033199684,
MCULE-9378114443,
NE30026,
EN300-74914,
Z1259086983,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.662g/mol |
| Monoisotopic Mass | 200.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number