Home Sulfos 3-propylbenzene-1-sulfonyl chloride

3-propylbenzene-1-sulfonyl chloride

CAS No.:
1603480-24-5
Catalog Number:
AG01B3N3
Molecular Formula:
C9H11ClO2S
Molecular Weight:
218.7004
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Product Description
Catalog Number:
AG01B3N3
Chemical Name:
3-propylbenzene-1-sulfonyl chloride
CAS Number:
1603480-24-5
Molecular Formula:
C9H11ClO2S
Molecular Weight:
218.7004
MDL Number:
MFCD29939542
IUPAC Name:
3-propylbenzenesulfonyl chloride
InChI:
InChI=1S/C9H11ClO2S/c1-2-4-8-5-3-6-9(7-8)13(10,11)12/h3,5-7H,2,4H2,1H3
InChI Key:
XJMCHQIUSIZYNW-UHFFFAOYSA-N
SMILES:
CCCc1cccc(c1)S(=O)(=O)Cl
Properties
Complexity:
243  
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:
3.3  
Properties