| CAS Number | 1599787-03-7 |
| Catalog Number | AG01BUQB |
| Chemical Name | methyl N-[2-chloro-4-(chlorosulfonyl)phenyl]carbamate |
| IUPAC Name | methyl N-(2-chloro-4-chlorosulfonylphenyl)carbamate |
| InChI | InChI=1S/C8H7Cl2NO4S/c1-15-8(12)11-7-3-2-5(4-6(7)9)16(10,13)14/h2-4H,1H3,(H,11,12) |
| InChI Key | SAMAJGYEQIWDDI-UHFFFAOYSA-N |
| MDL Number | MFCD28149330 |
| Molecular Formula | C8H7Cl2NO4S |
| Molecular Weight | 284.1165 |
| SMILES | COC(NC1=C(Cl)C=C(S(Cl)(=O)=O)C=C1)=O |
| Synonyms | methyl N-[2-chloro-4-(chlorosulfonyl)phenyl]carbamate,
1599787-03-7,
AKOS026733656,
ZINC129961783,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.107g/mol |
| Monoisotopic Mass | 282.947g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number