| CAS Number | 929971-63-1 |
| Catalog Number | AG019M8V |
| Chemical Name | ethyl 5'-(3-chloropropanamido)-[2,3'-bithiophene]-4'-carboxylate |
| IUPAC Name | ethyl 2-(3-chloropropanoylamino)-4-thiophen-2-ylthiophene-3-carboxylate |
| InChI | InChI=1S/C14H14ClNO3S2/c1-2-19-14(18)12-9(10-4-3-7-20-10)8-21-13(12)16-11(17)5-6-15/h3-4,7-8H,2,5-6H2,1H3,(H,16,17) |
| InChI Key | RYLAHDPEPLYKDR-UHFFFAOYSA-N |
| MDL Number | MFCD09040621 |
| Molecular Formula | C14H14ClNO3S2 |
| Molecular Weight | 343.8489 |
| SMILES | CCOC(C1C(C2SC=CC=2)=CSC=1NC(CCCl)=O)=O |
| Synonyms | ethyl 2-(3-chloropropanamido)-4-(thiophen-2-yl)thiophene-3-carboxylate,
929971-63-1,
AC1Q33DZ,
CTK6H7394,
ZINC8981611,
AKOS030694891,
MCULE-3486110675,
NE21443,
UPCMLD0ENAT5786676:001,
EN300-35407,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.84g/mol |
| Monoisotopic Mass | 343.01g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number