| CAS Number | 95186-47-3 |
| Catalog Number | AG00IISV(AGN-PC-0413KE) |
| Chemical Name | 4-Chloro-2-Ethynyl-1-Methoxybenzene |
| IUPAC Name | 4-chloro-2-ethynyl-1-methoxybenzene |
| InChI | InChI=1S/C9H7ClO/c1-3-7-6-8(10)4-5-9(7)11-2/h1,4-6H,2H3 |
| InChI Key | APAHTCMWFKAHJF-UHFFFAOYSA-N |
| MDL Number | MFCD11618083 |
| Molecular Formula | C9H7ClO |
| Molecular Weight | 166.6043 |
| SMILES | COC1=CC=C(Cl)C=C1C#C |
| Synonyms | 4-CHLORO-2-ETHYNYL-1-METHOXYBENZENE,
95186-47-3,
5-Chloro-2-methoxyphenylacetylene,
4-Chloro-2-ethynyl-1-methoxy-benzene,
Benzene, 4-chloro-2-ethynyl-1-methoxy-,
SCHEMBL3042839,
DTXSID70631688,
APAHTCMWFKAHJF-UHFFFAOYSA-N,
MFCD11618083,
ZINC36533553,
AKOS012334024,
AS-41799,
DA-00325,
FT-0769795,
A1-04203,
Z2216302953,
|
| 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