| CAS Number | 455890-94-5 |
| Catalog Number | AG01DQS7(AGN-PC-008W9B) |
| Chemical Name | N,N-bis(2-chloroethyl)-2-nitrobenzene-1-sulfonamide |
| IUPAC Name | N,N-bis(2-chloroethyl)-2-nitrobenzenesulfonamide |
| InChI | InChI=1S/C10H12Cl2N2O4S/c11-5-7-13(8-6-12)19(17,18)10-4-2-1-3-9(10)14(15)16/h1-4H,5-8H2 |
| InChI Key | FMPWFHQUILGARU-UHFFFAOYSA-N |
| MDL Number | MFCD25754641 |
| Molecular Formula | C10H12Cl2N2O4S |
| Molecular Weight | 327.1843 |
| SMILES | [O-][N+](C1=C(S(N(CCCl)CCCl)(=O)=O)C=CC=C1)=O |
| Synonyms | n,n-bis(2-chloroethyl)-2-nitrobenzenesulfonamide,
455890-94-5,
SCHEMBL2821245,
AKOS020917885,
CID11427383,
N,N-bis(2-chloroethyl)-2-nitro-benzenesulfonamide,
|
| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.176g/mol |
| Monoisotopic Mass | 325.989g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number