| CAS Number | 556112-19-7 |
| Catalog Number | AG00DKAS |
| Chemical Name | Benzene, 1,2-dichloro-3-ethynyl- |
| IUPAC Name | 1,2-dichloro-3-ethynylbenzene |
| InChI | InChI=1S/C8H4Cl2/c1-2-6-4-3-5-7(9)8(6)10/h1,3-5H |
| InChI Key | ZJBQVHITAJZERN-UHFFFAOYSA-N |
| MDL Number | MFCD16616293 |
| Molecular Formula | C8H4Cl2 |
| Molecular Weight | 171.0234 |
| SMILES | C#CC1=CC=CC(Cl)=C1Cl |
| Synonyms | 1,2-Dichloro-3-ethynylbenzene,
556112-19-7,
95385-82-3,
2,3-dichlorophenylacetylene,
AC1L43XE,
SCHEMBL3595081,
DTXSID20241817,
ZJBQVHITAJZERN-UHFFFAOYSA-N,
ZINC62605328,
AKOS012333843,
F8885-7531,
1,2-dichloro-3-ethynyl-benzene,
Benzene, 1,2-dichloro-3-ethynyl-,
CID178779,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.02g/mol |
| Monoisotopic Mass | 169.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number