| CAS Number | 731820-85-2 |
| Catalog Number | AG00FC4C |
| Chemical Name | ETHYL 2-[(CHLOROACETYL)AMINO]-4-METHYL-5-PHENYLTHIOPHENE-3-CARBOXYLATE |
| IUPAC Name | ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-phenylthiophene-3-carboxylate |
| InChI | InChI=1S/C16H16ClNO3S/c1-3-21-16(20)13-10(2)14(11-7-5-4-6-8-11)22-15(13)18-12(19)9-17/h4-8H,3,9H2,1-2H3,(H,18,19) |
| InChI Key | JRIAVAAJDOINCD-UHFFFAOYSA-N |
| MDL Number | MFCD04628439 |
| Molecular Formula | C16H16ClNO3S |
| Molecular Weight | 337.8211 |
| SMILES | O=C(C1=C(NC(CCl)=O)SC(C2=CC=CC=C2)=C1C)OCC |
| Synonyms | ethyl 2-[(chloroacetyl)amino]-4-methyl-5-phenylthiophene-3-carboxylate,
731820-85-2,
ethyl 2-(2-chloroacetamido)-4-methyl-5-phenylthiophene-3-carboxylate,
AC1M72RC,
AC1Q33EI,
CTK6F5504,
ZINC3294477,
SBB078097,
AKOS001047172,
MCULE-6895287618,
NE27113,
EN300-07287,
J-520680,
ethyl 2-(2-chloroacetylamino)-4-methyl-5-phenylthiophene-3-carboxylate,
ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-phenylthiophene-3-carboxylate,
ZINC03294477,
CID2410068,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.818g/mol |
| Monoisotopic Mass | 337.054g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number