3-Bromo-4-methoxybenzenesulfonyl chloride - CAS 23094-96-4
Catalog: |
BB017922 |
Product Name: |
3-Bromo-4-methoxybenzenesulfonyl chloride |
CAS: |
23094-96-4 |
Synonyms: |
3-bromo-4-methoxybenzenesulfonyl chloride |
IUPAC Name: | 3-bromo-4-methoxybenzenesulfonyl chloride |
Description: | 3-Bromo-4-methoxybenzenesulfonyl chloride (CAS# 23094-96-4) is a useful research chemical. |
Molecular Weight: | 285.54 |
Molecular Formula: | C7H6BrClO3S |
Canonical SMILES: | COC1=C(C=C(C=C1)S(=O)(=O)Cl)Br |
InChI: | InChI=1S/C7H6BrClO3S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,1H3 |
InChI Key: | LTVLATJRJIBHDR-UHFFFAOYSA-N |
Boiling Point: | 366 °C at 760 mmHg |
Density: | 1.717 g/cm3 |
MDL: | MFCD03989643 |
LogP: | 3.46600 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021034729-A1 | N-aryl sulfonamide derivatives as vaccine adjuvant | 20190816 |
WO-2020244613-A1 | 2, 4, 6-tri-substituted pyrimidine compound as atr kinase inhibitor | 20190606 |
EP-3636637-A1 | Inhibiting fatty acid synthase (fasn) | 20181010 |
US-2020115368-A1 | Inhibiting fatty acid synthase (fasn) | 20181010 |
WO-2020077071-A1 | Inhibiting fatty acid synthase (fasn) | 20181010 |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.89096 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.89096 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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