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89039-22-5 | Benzene, 1-[[2-chloro-2-(4-methoxyphenyl)ethyl]thio]-4-methyl-
CAS No: 89039-22-5 Catalog No: AG004242 MDL No:
Product Description
Catalog Number:
AG004242
Chemical Name:
Benzene, 1-[[2-chloro-2-(4-methoxyphenyl)ethyl]thio]-4-methyl-
CAS Number:
89039-22-5
Molecular Formula:
C16H17ClOS
Molecular Weight:
292.8236
IUPAC Name:
1-[2-chloro-2-(4-methoxyphenyl)ethyl]sulfanyl-4-methylbenzene
InChI:
InChI=1S/C16H17ClOS/c1-12-3-9-15(10-4-12)19-11-16(17)13-5-7-14(18-2)8-6-13/h3-10,16H,11H2,1-2H3
InChI Key:
LQYAJABHLXVIAV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(CSc1ccc(cc1)C)Cl
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.821g/mol
Monoisotopic Mass:
292.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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