| CAS Number | 304477-85-8 |
| Catalog Number | AG019VHF(AGN-PC-00JG1N) |
| Chemical Name | methyl 3-amino-5-(3-chlorophenyl)thiophene-2-carboxylate |
| IUPAC Name | methyl 3-amino-5-(3-chlorophenyl)thiophene-2-carboxylate |
| InChI | InChI=1S/C12H10ClNO2S/c1-16-12(15)11-9(14)6-10(17-11)7-3-2-4-8(13)5-7/h2-6H,14H2,1H3 |
| InChI Key | WLPWFUWQZRXIFA-UHFFFAOYSA-N |
| MDL Number | MFCD11207950 |
| Molecular Formula | C12H10ClNO2S |
| Molecular Weight | 267.7313 |
| SMILES | COC(C1=C(N)C=C(C2=CC(Cl)=CC=C2)S1)=O |
| Synonyms | Methyl 3-amino-5-(3-chlorophenyl)thiophene-2-carboxylate,
304477-85-8,
AC1Q42HI,
SCHEMBL4096459,
CTK6J1464,
WLPWFUWQZRXIFA-UHFFFAOYSA-N,
ZINC36379464,
NE18225,
EN300-45256,
Methyl 3-amino-5-(3-chlorophenyl)-2-thiophenecarboxylate,
3-Amino-5-(3-chloro-phenyl)-thiophene-2-carboxylic acid methyl ester,
CID11994772,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.727g/mol |
| Monoisotopic Mass | 267.012g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number