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16491-20-6 | Benzene, 1-methyl-4-[(R)-phenylsulfinyl]-
CAS No: 16491-20-6 Catalog No: AG001V5M MDL No:
Product Description
Catalog Number:
AG001V5M
Chemical Name:
Benzene, 1-methyl-4-[(R)-phenylsulfinyl]-
CAS Number:
16491-20-6
Molecular Formula:
C13H12OS
Molecular Weight:
216.2988
IUPAC Name:
1-methyl-4-[(R)-phenylsulfinyl]benzene
InChI:
InChI=1S/C13H12OS/c1-11-7-9-13(10-8-11)15(14)12-5-3-2-4-6-12/h2-10H,1H3/t15-/m1/s1
InChI Key:
NBNQTORHACKHCW-OAHLLOKOSA-N
SMILES:
Cc1ccc(cc1)[S@](=O)c1ccccc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
216.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.298g/mol
Monoisotopic Mass:
216.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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