| CAS Number | 161559-08-6 |
| Catalog Number | AG01C3NT(AGN-PC-02YNN6) |
| Chemical Name | 1-Chloro-4-(2-methoxyethyl)benzene |
| IUPAC Name | 1-chloro-4-(2-methoxyethyl)benzene |
| InChI | InChI=1S/C9H11ClO/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5H,6-7H2,1H3 |
| InChI Key | IFNDKCBRVYPUNR-UHFFFAOYSA-N |
| MDL Number | MFCD24153900 |
| Molecular Formula | C9H11ClO |
| Molecular Weight | 170.6360 |
| SMILES | COCCC1=CC=C(Cl)C=C1 |
| Synonyms | 1-chloro-4-(2-methoxyethyl)benzene,
161559-08-6,
SCHEMBL357647,
IFNDKCBRVYPUNR-UHFFFAOYSA-N,
AKOS020299257,
ZINC113650937,
4-Chlorophenethyl alcohol, methyl ether,
Z2350907395,
|
| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.636g/mol |
| Monoisotopic Mass | 170.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number