| CAS Number | 1208878-61-8 |
| Catalog Number | AG019XPM |
| Chemical Name | 3-Amino-5-(3-chlorophenyl)thiophene-2-carbonitrile |
| IUPAC Name | 3-amino-5-(3-chlorophenyl)thiophene-2-carbonitrile |
| InChI | InChI=1S/C11H7ClN2S/c12-8-3-1-2-7(4-8)10-5-9(14)11(6-13)15-10/h1-5H,14H2 |
| InChI Key | YHLOZINVDBBNST-UHFFFAOYSA-N |
| MDL Number | MFCD13196262 |
| Molecular Formula | C11H7ClN2S |
| Molecular Weight | 234.7047 |
| SMILES | NC1=C(C#N)SC(C2=CC(Cl)=CC=C2)=C1 |
| Synonyms | 3-amino-5-(3-chlorophenyl)thiophene-2-carbonitrile,
1208878-61-8,
EN300-55719,
AC1Q519A,
CTK7C9317,
ZINC38342457,
AKOS010903244,
MCULE-4166227658,
NE46727,
NCGC00327653-01,
AB01322943-02,
Z839576082,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.701g/mol |
| Monoisotopic Mass | 234.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number