| CAS Number | 1044272-56-1 |
| Catalog Number | AG019YY9 |
| Chemical Name | ethyl 3-amino-5-methanesulfonylbenzoate |
| IUPAC Name | ethyl 3-amino-5-methylsulfonylbenzoate |
| InChI | InChI=1S/C10H13NO4S/c1-3-15-10(12)7-4-8(11)6-9(5-7)16(2,13)14/h4-6H,3,11H2,1-2H3 |
| InChI Key | QZMLZMQSVLHFQV-UHFFFAOYSA-N |
| MDL Number | MFCD16059719 |
| Molecular Formula | C10H13NO4S |
| Molecular Weight | 243.2795 |
| SMILES | CCOC(C1=CC(S(C)(=O)=O)=CC(N)=C1)=O |
| Synonyms | ethyl 3-amino-5-methanesulfonylbenzoate,
1044272-56-1,
SCHEMBL2875079,
QZMLZMQSVLHFQV-UHFFFAOYSA-N,
ZINC42806700,
AKOS010872369,
MCULE-5214516657,
NE30168,
FT-0769290,
3-Amino-5-(methylsulfonyl)-benzoic acid ethyl ester,
Z1328718931,
ethyl 3-amino-5-(methylsulfonyl)benzoate,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.277g/mol |
| Monoisotopic Mass | 243.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number