| CAS Number | 1099632-44-6 |
| Catalog Number | AG019NDK |
| Chemical Name | 2-Cyano-4-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 2-cyano-4-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H3ClN2O4S/c8-15(13,14)7-2-1-6(10(11)12)3-5(7)4-9/h1-3H |
| InChI Key | NAWVUPGDAJHBOX-UHFFFAOYSA-N |
| MDL Number | MFCD11650639 |
| Molecular Formula | C7H3ClN2O4S |
| Molecular Weight | 246.6277 |
| SMILES | [O-][N+](C1=CC(C#N)=C(S(Cl)(=O)=O)C=C1)=O |
| Synonyms | 2-cyano-4-nitrobenzene-1-sulfonyl chloride,
1099632-44-6,
SCHEMBL1816083,
NAWVUPGDAJHBOX-UHFFFAOYSA-N,
ZINC59222001,
AKOS009385974,
FCH5185353,
2-cyano-4-nitrobenzenesulfonyl chloride,
BBV-33138408,
EN300-40111,
|
| 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