| CAS Number | 893383-55-6 |
| Catalog Number | AG01ABSG |
| Chemical Name | 3-(3,4-Dichlorobenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine |
| IUPAC Name | (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3,4-dichlorophenyl)methanone |
| InChI | InChI=1S/C14H11Cl2NOS/c15-9-5-4-7(6-10(9)16)13(18)12-8-2-1-3-11(8)19-14(12)17/h4-6H,1-3,17H2 |
| InChI Key | OMFQKLVWOFFERI-UHFFFAOYSA-N |
| MDL Number | MFCD11607100 |
| Molecular Formula | C14H11Cl2NOS |
| Molecular Weight | 312.2142 |
| SMILES | NC1=C(C(C2=CC(Cl)=C(Cl)C=C2)=O)C2=C(CCC2)S1 |
| Synonyms | 3-(3,4-dichlorobenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine,
893383-55-6,
SCHEMBL4063695,
OMFQKLVWOFFERI-UHFFFAOYSA-N,
ZINC19776231,
AKOS033550735,
MCULE-6592253053,
NE28248,
Z1695797902,
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3,4-dichloro-phenyl)-methanone,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.208g/mol |
| Monoisotopic Mass | 310.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number