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101167-08-2 | Benzene, 1-chloro-4-(propylsulfonyl)-
CAS No: 101167-08-2 Catalog No: AG0003VJ MDL No:
Product Description
Catalog Number:
AG0003VJ
Chemical Name:
Benzene, 1-chloro-4-(propylsulfonyl)-
CAS Number:
101167-08-2
Molecular Formula:
C9H11ClO2S
Molecular Weight:
218.7004
IUPAC Name:
1-chloro-4-propylsulfonylbenzene
InChI:
InChI=1S/C9H11ClO2S/c1-2-7-13(11,12)9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3
InChI Key:
JUTHAQSZBVIJPB-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.695g/mol
Monoisotopic Mass:
218.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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