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146949-07-7 | Benzenesulfonyl chloride, 4-propyl-
CAS No: 146949-07-7 Catalog No: AG001EGQ MDL No:MFCD00041508
Product Description
Catalog Number:
AG001EGQ
Chemical Name:
Benzenesulfonyl chloride, 4-propyl-
CAS Number:
146949-07-7
Molecular Formula:
C9H11ClO2S
Molecular Weight:
218.7004
MDL Number:
MFCD00041508
IUPAC Name:
4-propylbenzenesulfonyl chloride
InChI:
InChI=1S/C9H11ClO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3
InChI Key:
LEFGAGRZHLNPLS-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)S(=O)(=O)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:
3.1
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