| CAS Number | 223423-37-8 |
| Catalog Number | AG01BEKE(AGN-PC-0QYXLA) |
| Chemical Name | 3-(4-bromobenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine |
| IUPAC Name | (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-bromophenyl)methanone |
| InChI | InChI=1S/C14H12BrNOS/c15-9-6-4-8(5-7-9)13(17)12-10-2-1-3-11(10)18-14(12)16/h4-7H,1-3,16H2 |
| InChI Key | AGAHDIGCNBCTPK-UHFFFAOYSA-N |
| MDL Number | MFCD03118411 |
| Molecular Formula | C14H12BrNOS |
| Molecular Weight | 322.2202 |
| SMILES | NC1=C(C(C2=CC=C(Br)C=C2)=O)C2=C(CCC2)S1 |
| Synonyms | 3-(4-bromobenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine,
223423-37-8,
AC1LHAGC,
Oprea1_311880,
Oprea1_605692,
CHEMBL58748,
ZINC415528,
AKOS033654536,
ASN 04364367,
Z1901070831,
2-Amino-3-(4-bromobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene,
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-bromophenyl)methanone,
CID859629,
(3-amino-4-thiabicyclo[3.3.0]octa-2,9-dien-2-yl)-(4-bromophenyl)methanone,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.22g/mol |
| Monoisotopic Mass | 320.982g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number