| CAS Number | 923842-98-2 |
| Catalog Number | AG019K8B |
| Chemical Name | 2-chloro-N-(3-cyano-4,5-dimethyl-1-phenyl-1H-pyrrol-2-yl)acetamide |
| IUPAC Name | 2-chloro-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide |
| InChI | InChI=1S/C15H14ClN3O/c1-10-11(2)19(12-6-4-3-5-7-12)15(13(10)9-17)18-14(20)8-16/h3-7H,8H2,1-2H3,(H,18,20) |
| InChI Key | UKKXCSHWORZBQM-UHFFFAOYSA-N |
| MDL Number | MFCD08691137 |
| Molecular Formula | C15H14ClN3O |
| Molecular Weight | 287.7442 |
| SMILES | CC1C(C#N)=C(NC(CCl)=O)N(C2=CC=CC=C2)C=1C |
| Synonyms | 2-chloro-N-(3-cyano-4,5-dimethyl-1-phenyl-1H-pyrrol-2-yl)acetamide,
EN300-25913,
923842-98-2,
AC1Q2DN5,
ZINC10037792,
AKOS030647990,
MCULE-2714567411,
NE27338,
UPCMLD0ENAT5662372:001,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.747g/mol |
| Monoisotopic Mass | 287.083g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number