4-Fluoro-2-nitrophenyl methanesulfonate - CAS 2010955-38-9
Catalog: |
BB064862 |
Product Name: |
4-Fluoro-2-nitrophenyl methanesulfonate |
CAS: |
2010955-38-9 |
Synonyms: |
4-Fluoro-2-nitrophenyl methanesulfonate; (4-Fluoro-2-nitrophenyl) methanesulfonate; 4-Fluoro-2-nitrophenylmethanesulfonate; Phenol, 4-fluoro-2-nitro-, 1-methanesulfonate |
IUPAC Name: | (4-fluoro-2-nitrophenyl) methanesulfonate |
Description: | 4-Fluoro-2-nitrophenyl methanesulfonate |
Molecular Weight: | 235.19 |
Molecular Formula: | C7H6FNO5S |
Canonical SMILES: | CS(=O)(=O)OC1=C(C=C(C=C1)F)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6FNO5S/c1-15(12,13)14-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3 |
InChI Key: | CZTCTRLQTDRPGL-UHFFFAOYSA-N |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.99507163 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.99507163 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 97.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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