4-Methyl-3-nitrobenzenesulfonyl chloride - CAS 616-83-1
Catalog: |
BB031224 |
Product Name: |
4-Methyl-3-nitrobenzenesulfonyl chloride |
CAS: |
616-83-1 |
Synonyms: |
4-methyl-3-nitrobenzenesulfonyl chloride |
IUPAC Name: | 4-methyl-3-nitrobenzenesulfonyl chloride |
Description: | Methyl 5-Bromo-7-azaindole-2-carboxylate can be used as CRHR2 antagonists to treat or prevent disorders in which CRHR1 and/or CRHR2 are involved. |
Molecular Weight: | 235.64 |
Molecular Formula: | C7H6ClNO4S |
Canonical SMILES: | CC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6ClNO4S/c1-5-2-3-6(14(8,12)13)4-7(5)9(10)11/h2-4H,1H3 |
InChI Key: | OQFYBGANSUNUAO-UHFFFAOYSA-N |
Boiling Point: | 152-154 °C / 1 mmHg |
Melting Point: | 38-40 °C |
Purity: | 95 % |
Density: | 1.528 g/cm3 |
Appearance: | White to orange to brown solid |
MDL: | MFCD00129811 |
LogP: | 3.43470 |
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-2021053495-A1 | Bifunctional degraders and their methods of use | 20190916 |
CN-109516987-A | A kind of AVM hereinafter Batan centre preparation | 20181226 |
CN-109516987-B | Preparation method of avibactam intermediate | 20181226 |
WO-2019131922-A1 | Aryloxy compound | 20171227 |
JP-2021042126-A | Aryloxy compound | 20171227 |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.9706065 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.9706065 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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