Home Sulfos 2-(propan-2-yl)benzene-1-sulfonyl chloride

2-(propan-2-yl)benzene-1-sulfonyl chloride

CAS No.:
61738-47-4
Catalog Number:
AG01B1IC
Molecular Formula:
C9H11ClO2S
Molecular Weight:
218.7004
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Product Description
Catalog Number:
AG01B1IC
Chemical Name:
2-(propan-2-yl)benzene-1-sulfonyl chloride
CAS Number:
61738-47-4
Molecular Formula:
C9H11ClO2S
Molecular Weight:
218.7004
MDL Number:
MFCD04973902
IUPAC Name:
2-propan-2-ylbenzenesulfonyl chloride
InChI:
InChI=1S/C9H11ClO2S/c1-7(2)8-5-3-4-6-9(8)13(10,11)12/h3-7H,1-2H3
InChI Key:
VHORYVBOBIUIDS-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1S(=O)(=O)Cl)C
Properties
Complexity:
253  
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:
2  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties