1-Methyl-2-[(phenylsulfonyl)methyl]benzene - CAS 71996-48-0
Catalog: |
BB034513 |
Product Name: |
1-Methyl-2-[(phenylsulfonyl)methyl]benzene |
CAS: |
71996-48-0 |
Synonyms: |
1-(benzenesulfonylmethyl)-2-methylbenzene |
IUPAC Name: | 1-(benzenesulfonylmethyl)-2-methylbenzene |
Description: | 1-Methyl-2-[(phenylsulfonyl)methyl]benzene (CAS# 71996-48-0 ) is a useful research chemical. |
Molecular Weight: | 246.32 |
Molecular Formula: | C14H14O2S |
Canonical SMILES: | CC1=CC=CC=C1CS(=O)(=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C14H14O2S/c1-12-7-5-6-8-13(12)11-17(15,16)14-9-3-2-4-10-14/h2-10H,11H2,1H3 |
InChI Key: | PWECXBSVNSKIIN-UHFFFAOYSA-N |
Boiling Point: | 435.9 °C at 760 mmHg |
Density: | 1.183 g/cm3 |
MDL: | MFCD00012365 |
LogP: | 4.04970 |
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Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.07145086 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.07145086 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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