Nitromethyl phenyl sulfone - CAS 21272-85-5
Catalog: |
BB016741 |
Product Name: |
Nitromethyl phenyl sulfone |
CAS: |
21272-85-5 |
Synonyms: |
nitromethylsulfonylbenzene |
IUPAC Name: | nitromethylsulfonylbenzene |
Description: | Nitromethyl phenyl sulfone (CAS# 21272-85-5 ) is a useful research chemical. |
Molecular Weight: | 201.20 |
Molecular Formula: | C7H7NO4S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)C[N+](=O)[O-] |
InChI: | InChI=1S/C7H7NO4S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2 |
InChI Key: | ADKLJTCVZHUANG-UHFFFAOYSA-N |
Boiling Point: | 399.8 °C at 760 mmHg |
Melting Point: | 78-80 °C |
Purity: | 95 % |
Density: | 1.397 g/cm3 |
LogP: | 2.29850 |
Publication Number | Title | Priority Date |
WO-2020257135-A1 | Triazole carboxylic acids as lpa antagonists | 20190618 |
WO-2020257138-A1 | Isoxazole carboxylic acids as lpa antagonists | 20190618 |
US-2020338217-A1 | Anionic chelate compounds | 20171220 |
AU-2013341711-A1 | Compounds and methods for producing a conjugate | 20121112 |
CA-2890190-A1 | Compounds and methods for producing a conjugate | 20121112 |
PMID | Publication Date | Title | Journal |
22708653 | 20120706 | Enantioselective synthesis of α-stereogenic γ-keto esters via formal umpolung | Organic letters |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.00957888 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.00957888 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 88.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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