4-Methoxy-3-nitrobenzenesulfonyl Chloride - CAS 22117-79-9
Catalog: |
BB017390 |
Product Name: |
4-Methoxy-3-nitrobenzenesulfonyl Chloride |
CAS: |
22117-79-9 |
Synonyms: |
4-methoxy-3-nitrobenzenesulfonyl chloride; 4-methoxy-3-nitrobenzenesulfonyl chloride |
IUPAC Name: | 4-methoxy-3-nitrobenzenesulfonyl chloride |
Description: | 4-Methoxy-3-nitrobenzenesulfonyl Chloride (CAS# 22117-79-9) is a useful research chemical. |
Molecular Weight: | 251.64 |
Molecular Formula: | C7H6ClNO5S |
Canonical SMILES: | COC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6ClNO5S/c1-14-7-3-2-5(15(8,12)13)4-6(7)9(10)11/h2-4H,1H3 |
InChI Key: | PWYNJONRUFAOFG-UHFFFAOYSA-N |
Boiling Point: | 408.2 °C at 760 mmHg |
Density: | 1.553 g/cm3 |
MDL: | MFCD06253473 |
LogP: | 3.13490 |
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 |
CN-109516987-B | Preparation method of avibactam intermediate | 20181226 |
WO-2020127846-A1 | Condensed pyrroles as novel bromodomain inhibitors | 20181221 |
EP-3898587-A1 | Condensed pyrroles as novel bromodomain inhibitors | 20181221 |
WO-2020127846-A9 | Condensed pyrroles as novel bromodomain inhibitors | 20181221 |
AU-2018217664-A1 | Sulphamoylaryl derivatives and use thereof as medicaments for the treatment of liver fibrosis | 20170207 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.9655212 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.9655212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 97.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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