| CAS Number | 163295-71-4 |
| Catalog Number | AG001U01(AGN-PC-0Q8DCR) |
| Chemical Name | (2,5-Dichlorophenyl)methanesulfonyl chloride |
| IUPAC Name | (2,5-dichlorophenyl)methanesulfonyl chloride |
| InChI | InChI=1S/C7H5Cl3O2S/c8-6-1-2-7(9)5(3-6)4-13(10,11)12/h1-3H,4H2 |
| InChI Key | DHIDMPXMRCSOHM-UHFFFAOYSA-N |
| MDL Number | MFCD11976103 |
| Molecular Formula | C7H5Cl3O2S |
| Molecular Weight | 259.5374 |
| SMILES | O=S(CC1=CC(Cl)=CC=C1Cl)(Cl)=O |
| Synonyms | (2,5-dichlorophenyl)methanesulfonyl chloride,
163295-71-4,
(2,5-Dichlorophenyl)methanesulphonyl chloride,
Benzenemethanesulfonyl chloride, 2,5-dichloro-,
SCHEMBL3386780,
DTXSID10706465,
DHIDMPXMRCSOHM-UHFFFAOYSA-N,
MFCD11976103,
AKOS014653731,
ZINC100025180,
AK671253,
AM100335,
PS-10888,
SC-36144,
K-5104,
alpha-(Chlorosulphonyl)-2,3-dichlorotoluene,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.908g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.525g/mol |
| Monoisotopic Mass | 257.908g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number