3,5-Difluorobenzylsulfonyl chloride - CAS 163295-74-7
Catalog: |
BB011985 |
Product Name: |
3,5-Difluorobenzylsulfonyl chloride |
CAS: |
163295-74-7 |
Synonyms: |
(3,5-difluorophenyl)methanesulfonyl chloride |
IUPAC Name: | (3,5-difluorophenyl)methanesulfonyl chloride |
Description: | 3,5-Difluorobenzylsulfonyl chloride (CAS# 163295-74-7) is a useful research chemical. |
Molecular Weight: | 226.63 |
Molecular Formula: | C7H5ClF2O2S |
Canonical SMILES: | C1=C(C=C(C=C1F)F)CS(=O)(=O)Cl |
InChI: | InChI=1S/C7H5ClF2O2S/c8-13(11,12)4-5-1-6(9)3-7(10)2-5/h1-3H,4H2 |
InChI Key: | VJJZLXRMDXUBPP-UHFFFAOYSA-N |
MDL: | MFCD09743349 |
LogP: | 3.11420 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3126329-A1 | N-hydroxymethanesulfonamide nitroxyl donors | 20140117 |
EP-3126329-B1 | N-hydroxymethanesulfonamide nitroxyl donors | 20140117 |
ES-2734060-T3 | Nitroxyl donors of N-hydroxymethanesulfonamide | 20140117 |
US-2016046569-A1 | N-hydroxymethanesulfonamide nitroxyl donors | 20140117 |
US-9932303-B2 | N-hydroxymethanesulfonamide nitroxyl donors | 20140117 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.9666846 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.9666846 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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