| CAS Number | 72734-85-1 |
| Catalog Number | AG01A5OF(AGN-PC-01WFZS) |
| Chemical Name | 2-(3-Chloropropyl)anisole |
| IUPAC Name | 1-(3-chloropropyl)-2-methoxybenzene |
| InChI | InChI=1S/C10H13ClO/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-3,5,7H,4,6,8H2,1H3 |
| InChI Key | IPJLXAZYIJLXHL-UHFFFAOYSA-N |
| MDL Number | MFCD09744304 |
| Molecular Formula | C10H13ClO |
| Molecular Weight | 184.6626 |
| SMILES | COC1=C(CCCCl)C=CC=C1 |
| Synonyms | 1-(3-CHLOROPROPYL)-2-METHOXYBENZENE,
72734-85-1,
2-(3-chloro-propyl)-anisole,
2-(3-Chloropropyl)anisole,
SCHEMBL7745016,
IPJLXAZYIJLXHL-UHFFFAOYSA-N,
3-(2-methoxyphenyl)propyl chloride,
3-(o-methoxyphenyl)-1-chloropropane,
ZINC19785259,
AKOS011896933,
NE29663,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.663g/mol |
| Monoisotopic Mass | 184.065g/mol |
| Rotatable Bond Count | 4 |
| 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