4-(Difluoromethyl)benzenesulfonyl Chloride - CAS 1263179-09-4
Catalog: |
BB006563 |
Product Name: |
4-(Difluoromethyl)benzenesulfonyl Chloride |
CAS: |
1263179-09-4 |
Synonyms: |
4-(difluoromethyl)benzenesulfonyl chloride; 4-(difluoromethyl)benzenesulfonyl chloride |
IUPAC Name: | 4-(difluoromethyl)benzenesulfonyl chloride |
Description: | 4-(Difluoromethyl)benzenesulfonyl Chloride (CAS# 1263179-09-4) is a useful research chemical. |
Molecular Weight: | 226.63 |
Molecular Formula: | C7H5ClF2O2S |
Canonical SMILES: | C1=CC(=CC=C1C(F)F)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H5ClF2O2S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4,7H |
InChI Key: | MRZWOBNQYQXAIR-UHFFFAOYSA-N |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020002611-A1 | Novel lxr modulators with bicyclic core moiety | 20180628 |
TW-202019907-A | Novel LXR regulator containing a bicyclic core | 20180628 |
AU-2019293727-A1 | Novel LXR modulators with bicyclic core moiety | 20180628 |
CA-3104956-A1 | Novel lxr modulators with bicyclic core moiety | 20180628 |
CN-112689630-A | Novel LXR modulators with bicyclic core moieties | 20180628 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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