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1379363-01-5 | 3-Chloro-4-ethoxyphenyl methyl sulfide
CAS No: 1379363-01-5 Catalog No: AG01FCPH MDL No:
Product Description
Catalog Number:
AG01FCPH
Chemical Name:
3-Chloro-4-ethoxyphenyl methyl sulfide
CAS Number:
1379363-01-5
Molecular Formula:
C9H11ClOS
Molecular Weight:
202.7010
IUPAC Name:
2-chloro-1-ethoxy-4-methylsulfanylbenzene
InChI:
InChI=1S/C9H11ClOS/c1-3-11-9-5-4-7(12-2)6-8(9)10/h4-6H,3H2,1-2H3
InChI Key:
PAJIUPAWDKRLHS-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1Cl)SC
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.696g/mol
Monoisotopic Mass:
202.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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