| CAS Number | 885949-84-8 |
| Catalog Number | AG00IVFD(AGN-PC-0WAVLN) |
| Chemical Name | 1-(3-Chloro-4-((3-methoxybenzyl)oxy)phenyl)ethanone |
| IUPAC Name | 1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanone |
| InChI | InChI=1S/C16H15ClO3/c1-11(18)13-6-7-16(15(17)9-13)20-10-12-4-3-5-14(8-12)19-2/h3-9H,10H2,1-2H3 |
| InChI Key | ZLFIQUARIGKWCD-UHFFFAOYSA-N |
| MDL Number | MFCD06659577 |
| Molecular Formula | C16H15ClO3 |
| Molecular Weight | 290.7415 |
| SMILES | ClC2(=C(OCC1(=CC(OC)=CC=C1))C=CC(=C2)C(=O)C) |
| Synonyms | 1-{3-Chloro-4-[(3-methoxybenzyl)oxy]phenyl}-1-ethanone,
885949-84-8,
1-(3-Chloro-4-((3-methoxybenzyl)oxy)phenyl)ethanone,
1-(3-Chloro-4-[(3-methoxybenzyl)oxy]phenyl)-1-ethanone,
1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanone,
1-{3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl}ethanone,
AC1MC9GH,
CTK7A9512,
chloromethoxybenzyloxyphenylethanone,
KS-00001Z0L,
ZINC3880967,
MFCD06659577,
AKOS005070801,
RP15806,
AJ-46610,
TR-063712,
6Y-0934,
1-{3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl}ethan-1-one,
ZINC03880967,
CID2764212,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.743g/mol |
| Monoisotopic Mass | 290.071g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number