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1379343-02-8 | 4-n-Butoxy-3-chlorophenyl methyl sulfide
CAS No: 1379343-02-8 Catalog No: AG01FBZY MDL No:
Product Description
Catalog Number:
AG01FBZY
Chemical Name:
4-n-Butoxy-3-chlorophenyl methyl sulfide
CAS Number:
1379343-02-8
Molecular Formula:
C11H15ClOS
Molecular Weight:
230.7542
IUPAC Name:
1-butoxy-2-chloro-4-methylsulfanylbenzene
InChI:
InChI=1S/C11H15ClOS/c1-3-4-7-13-11-6-5-9(14-2)8-10(11)12/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
JWLYCDCCJINEPQ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1Cl)SC
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.75g/mol
Monoisotopic Mass:
230.053g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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