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1443350-03-5 | 3-Chloro-4-n-pentoxyphenyl methyl sulfide
CAS No: 1443350-03-5 Catalog No: AG01FBOY MDL No:
Product Description
Catalog Number:
AG01FBOY
Chemical Name:
3-Chloro-4-n-pentoxyphenyl methyl sulfide
CAS Number:
1443350-03-5
Molecular Formula:
C12H17ClOS
Molecular Weight:
244.7808
IUPAC Name:
2-chloro-4-methylsulfanyl-1-pentoxybenzene
InChI:
InChI=1S/C12H17ClOS/c1-3-4-5-8-14-12-7-6-10(15-2)9-11(12)13/h6-7,9H,3-5,8H2,1-2H3
InChI Key:
RSMROAITTJVAGB-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1Cl)SC
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.777g/mol
Monoisotopic Mass:
244.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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