| CAS Number | 950601-93-1 |
| Catalog Number | AG01BK8R |
| Chemical Name | 2-Chloro-4-ethynylaniline |
| IUPAC Name | 2-chloro-4-ethynylaniline |
| InChI | InChI=1S/C8H6ClN/c1-2-6-3-4-8(10)7(9)5-6/h1,3-5H,10H2 |
| InChI Key | KGJRKZUOVFCSRJ-UHFFFAOYSA-N |
| MDL Number | MFCD11618074 |
| Molecular Formula | C8H6ClN |
| Molecular Weight | 151.5929 |
| SMILES | ClC1=C(N)C=CC(=C1)C#C |
| Synonyms | 2-chloro-4-ethynylaniline,
950601-93-1,
4-Amino-3-chlorophenylacetylene,
SCHEMBL3379669,
MFCD11618074,
ZINC36533528,
AKOS006315260,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.593g/mol |
| Monoisotopic Mass | 151.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number