| CAS Number | 153440-68-7 |
| Catalog Number | AG01BV0Z |
| Chemical Name | 2-Chloro-1-ethynyl-4-methoxybenzene |
| IUPAC Name | 2-chloro-1-ethynyl-4-methoxybenzene |
| InChI | InChI=1S/C9H7ClO/c1-3-7-4-5-8(11-2)6-9(7)10/h1,4-6H,2H3 |
| InChI Key | LSTDMADOYKDOFL-UHFFFAOYSA-N |
| MDL Number | MFCD27945296 |
| Molecular Formula | C9H7ClO |
| Molecular Weight | 166.6043 |
| SMILES | COC1=CC=C(C#C)C(Cl)=C1 |
| Synonyms | 2-chloro-1-ethynyl-4-methoxybenzene,
153440-68-7,
Benzene, 2-chloro-1-ethynyl-4-methoxy-,
SCHEMBL4499142,
LSTDMADOYKDOFL-UHFFFAOYSA-N,
AKOS030524500,
ZINC146474324,
Z2680629456,
|
| 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