| CAS Number | 6575-25-3 |
| Catalog Number | AG00FGSJ(AGN-PC-03N5H6) |
| Chemical Name | Benzene, 1,3-dichloro-2-ethynyl- |
| IUPAC Name | 1,3-dichloro-2-ethynylbenzene |
| InChI | InChI=1S/C8H4Cl2/c1-2-6-7(9)4-3-5-8(6)10/h1,3-5H |
| InChI Key | MBZVWRBXABOVIF-UHFFFAOYSA-N |
| MDL Number | MFCD16616267 |
| Molecular Formula | C8H4Cl2 |
| Molecular Weight | 171.0234 |
| SMILES | C#Cc1c(cccc1Cl)Cl |
| Synonyms | 1,3-dichloro-2-ethynylbenzene,
6575-25-3,
1,3-dichloro-2-ethynyl-benzene,
2,6-dichlorophenylacetylene,
SCHEMBL236870,
MBZVWRBXABOVIF-UHFFFAOYSA-N,
Benzene, 1,3-dichloro-2-ethynyl-,
ZINC98095392,
AKOS026716020,
MCULE-3250625159,
NE38405,
F2147-2797,
Z1863617768,
|
| Complexity | 146 |
| 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