| CAS Number | 1820710-57-3 |
| Catalog Number | AG00I0ZF |
| Chemical Name | Methyl 4-(N-butylmethanesulfonamido)benzoate |
| IUPAC Name | methyl 4-[butyl(methylsulfonyl)amino]benzoate |
| InChI | InChI=1S/C13H19NO4S/c1-4-5-10-14(19(3,16)17)12-8-6-11(7-9-12)13(15)18-2/h6-9H,4-5,10H2,1-3H3 |
| InChI Key | BAQDKFIHHFMHFW-UHFFFAOYSA-N |
| MDL Number | MFCD28252210 |
| Molecular Formula | C13H19NO4S |
| Molecular Weight | 285.3593 |
| SMILES | CCCCN(S(=O)(=O)C)c1ccc(cc1)C(=O)OC |
| Synonyms | Methyl 4-(N-butylmethylsulfonamido)benzoate,
1820710-57-3,
METHYL 4-(N-BUTYLMETHANESULFONAMIDO)BENZOATE,
ADAL1200679,
ZINC216703493,
methyl 4-[butyl(methylsulfonyl)amino]benzoate,
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| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.103479g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.36g/mol |
| Monoisotopic Mass | 285.103479g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 72.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number