| CAS Number | 1343921-70-9 |
| Catalog Number | AG01A2GH |
| Chemical Name | 1-Chloro-2-ethynyl-4-methoxybenzene |
| IUPAC Name | 1-chloro-2-ethynyl-4-methoxybenzene |
| InChI | InChI=1S/C9H7ClO/c1-3-7-6-8(11-2)4-5-9(7)10/h1,4-6H,2H3 |
| InChI Key | NUKFFXPYKZNSMT-UHFFFAOYSA-N |
| MDL Number | MFCD17281933 |
| Molecular Formula | C9H7ClO |
| Molecular Weight | 166.6043 |
| SMILES | COC1=CC(C#C)=C(Cl)C=C1 |
| Synonyms | 1-chloro-2-ethynyl-4-methoxybenzene,
1343921-70-9,
ZINC62605434,
AKOS012333479,
MCULE-9908475490,
NE19651,
Z1507540264,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.604g/mol |
| Monoisotopic Mass | 166.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number