| CAS Number | 75032-27-8 |
| Catalog Number | AG00ICLE(AGN-PC-0NJO4N) |
| Chemical Name | Ethyl 2-(4-nitrophenylthio)acetate |
| IUPAC Name | ethyl 2-(4-nitrophenyl)sulfanylacetate |
| InChI | InChI=1S/C10H11NO4S/c1-2-15-10(12)7-16-9-5-3-8(4-6-9)11(13)14/h3-6H,2,7H2,1H3 |
| InChI Key | RUFWJCXCVXSNQN-UHFFFAOYSA-N |
| MDL Number | MFCD12169613 |
| Molecular Formula | C10H11NO4S |
| Molecular Weight | 241.2636 |
| SMILES | CCOC(=O)CSc1ccc(cc1)[N+](=O)[O-] |
| Synonyms | Ethyl 2-(4-nitrophenylthio)acetate,
75032-27-8,
SCHEMBL10884613,
RUFWJCXCVXSNQN-UHFFFAOYSA-N,
KM1665,
MFCD12169613,
ZINC35082348,
ethyl[(4-nitrophenyl)sulfanyl]acetate,
AKOS008923767,
(4-Nitrophenylthio)acetic acid ethyl ester,
Acetic acid, [(4-nitrophenyl)thio]-, ethyl ester,
ethyl [(p-nitrophenyl)thio]acetate,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.261g/mol |
| Monoisotopic Mass | 241.041g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 97.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number