| CAS Number | 98279-07-3 |
| Catalog Number | AG01AKKF(AGN-PC-0AA01T) |
| Chemical Name | 4-Cyano-2-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 4-cyano-2-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H3ClN2O4S/c8-15(13,14)7-2-1-5(4-9)3-6(7)10(11)12/h1-3H |
| InChI Key | MUFCPNUZSLHPNT-UHFFFAOYSA-N |
| MDL Number | MFCD16093690 |
| Molecular Formula | C7H3ClN2O4S |
| Molecular Weight | 246.6277 |
| SMILES | [O-][N+](C1=C(S(Cl)(=O)=O)C=CC(C#N)=C1)=O |
| Synonyms | 4-cyano-2-nitrobenzene-1-sulfonyl chloride,
98279-07-3,
EN300-84403,
SCHEMBL11973650,
MUFCPNUZSLHPNT-UHFFFAOYSA-N,
MFCD16093690,
AKOS010995677,
ZINC100640218,
FCH5546690,
NE22593,
4-Cyano-2-nitrobenzenesulfonyl chloride,
4-Cyano-2-nitro-benzenesulfonyl chloride,
BBV-33403759,
4-Cyano-2-nitrobenzenesulfonic acid chloride,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.621g/mol |
| Monoisotopic Mass | 245.95g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number