| CAS Number | 1484470-70-3 |
| Catalog Number | AG01BXSY |
| Chemical Name | 5-Chloro-2-[(prop-2-yn-1-yl)amino]benzonitrile |
| IUPAC Name | 5-chloro-2-(prop-2-ynylamino)benzonitrile |
| InChI | InChI=1S/C10H7ClN2/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h1,3-4,6,13H,5H2 |
| InChI Key | WSXKXXSSMVNRDS-UHFFFAOYSA-N |
| MDL Number | MFCD16778184 |
| Molecular Formula | C10H7ClN2 |
| Molecular Weight | 190.629 |
| SMILES | ClC1=CC(C#N)=C(NCC#C)C=C1 |
| Synonyms | 5-chloro-2-[(prop-2-yn-1-yl)amino]benzonitrile,
1484470-70-3,
ZINC52858322,
AKOS011783326,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.63g/mol |
| Monoisotopic Mass | 190.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number