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16155-33-2 | 2,5-Dichlorophenyl propyl sulfide
CAS No: 16155-33-2 Catalog No: AG01FEHT MDL No:MFCD26792639
Product Description
Catalog Number:
AG01FEHT
Chemical Name:
2,5-Dichlorophenyl propyl sulfide
CAS Number:
16155-33-2
Molecular Formula:
C9H10Cl2S
Molecular Weight:
221.1467
MDL Number:
MFCD26792639
IUPAC Name:
1,4-dichloro-2-propylsulfanylbenzene
InChI:
InChI=1S/C9H10Cl2S/c1-2-5-12-9-6-7(10)3-4-8(9)11/h3-4,6H,2,5H2,1H3
InChI Key:
QLNLFLFZAAKVTH-UHFFFAOYSA-N
SMILES:
CCCSc1cc(Cl)ccc1Cl
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.988g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.139g/mol
Monoisotopic Mass:
219.988g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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