| CAS Number | 58114-05-9 |
| Catalog Number | AG019ST0(AGN-PC-00JTOR) |
| Chemical Name | 1-(1-Chloroethyl)-3-methoxybenzene |
| IUPAC Name | 1-(1-chloroethyl)-3-methoxybenzene |
| InChI | InChI=1S/C9H11ClO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7H,1-2H3 |
| InChI Key | YOANFEVQVLUDDA-UHFFFAOYSA-N |
| MDL Number | MFCD11186421 |
| Molecular Formula | C9H11ClO |
| Molecular Weight | 170.6360 |
| SMILES | COC1=CC(C(Cl)C)=CC=C1 |
| Synonyms | 1-(1-chloroethyl)-3-methoxybenzene,
58114-05-9,
1-chloro-1-(3'-methoxyphenyl)ethane,
SCHEMBL1588867,
CTK1F0484,
DTXSID30511730,
YOANFEVQVLUDDA-UHFFFAOYSA-N,
1-chlor-1-(3'-methoxyphenyl)-ethane,
NE33484,
Benzene, 1-(1-chloroethyl)-3-methoxy-,
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| Complexity | 116 |
| 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 | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number