| CAS Number | 1118787-91-9 |
| Catalog Number | AG019UHZ(AGN-PC-0WO7DV) |
| Chemical Name | Methyl 2-chloro-5-(chlorosulfonyl)pyridine-3-carboxylate |
| IUPAC Name | methyl 2-chloro-5-chlorosulfonylpyridine-3-carboxylate |
| InChI | InChI=1S/C7H5Cl2NO4S/c1-14-7(11)5-2-4(15(9,12)13)3-10-6(5)8/h2-3H,1H3 |
| InChI Key | HPPMSUMZDZOGEZ-UHFFFAOYSA-N |
| MDL Number | MFCD11857840 |
| Molecular Formula | C7H5Cl2NO4S |
| Molecular Weight | 270.0899 |
| SMILES | COC(C1=C(Cl)N=CC(S(Cl)(=O)=O)=C1)=O |
| Synonyms | methyl 2-chloro-5-(chlorosulfonyl)pyridine-3-carboxylate,
1118787-91-9,
methyl 2-chloro-5-(chlorosulfonyl)nicotinate,
AC1Q42FT,
SCHEMBL17492973,
CTK6I9314,
MFCD11857840,
ZINC59530750,
AKOS026728484,
NE15307,
BS-14036,
EN300-41732,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.932g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.08g/mol |
| Monoisotopic Mass | 268.932g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number