| CAS Number | 736960-88-6 |
| Catalog Number | AG019I79(AGN-PC-0WCOGW) |
| Chemical Name | ethyl 2-(2-chloroacetamido)-4-(5-methylfuran-2-yl)thiophene-3-carboxylate |
| IUPAC Name | ethyl 2-[(2-chloroacetyl)amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate |
| InChI | InChI=1S/C14H14ClNO4S/c1-3-19-14(18)12-9(10-5-4-8(2)20-10)7-21-13(12)16-11(17)6-15/h4-5,7H,3,6H2,1-2H3,(H,16,17) |
| InChI Key | LTXQOUSIXFNKLV-UHFFFAOYSA-N |
| MDL Number | MFCD03982156 |
| Molecular Formula | C14H14ClNO4S |
| Molecular Weight | 327.7833 |
| SMILES | CCOC(C1C(C2OC(C)=CC=2)=CSC=1NC(CCl)=O)=O |
| Synonyms | 736960-88-6,
ethyl 2-[(chloroacetyl)amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylate,
ethyl 2-(2-chloroacetamido)-4-(5-methylfuran-2-yl)thiophene-3-carboxylate,
2-(2-Chloro-acetylamino)-4-(5-methyl-furan-2-yl)-thiophene-3-carboxylic acid ethyl ester,
AC1M65Z4,
AC1Q33F7,
CTK6F5659,
ZINC3249873,
SBB038696,
AKOS000266943,
MCULE-1275926428,
EN300-05840,
VU0549269-1,
L-4647,
F9995-0022,
ethyl 2-(2-chloroacetylamino)-4-(5-methyl(2-furyl))thiophene-3-carboxylate,
ethyl 2-[(2-chloroacetyl)amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate,
ZINC03249873,
CID2366978,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.779g/mol |
| Monoisotopic Mass | 327.033g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 96.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number