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1016516-29-2,MFCD09802689
Catalog No.:AA000502
1016516-29-2 | 4-(Benzyloxy)-3,5-dimethylbenzene-1-sulfonyl chloride
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Technical Information
Catalog Number:
AA000502
Chemical Name:
4-(Benzyloxy)-3,5-dimethylbenzene-1-sulfonyl chloride
CAS Number:
1016516-29-2
Molecular Formula:
C15H15ClO3S
Molecular Weight:
310.7958
MDL Number:
MFCD09802689
IUPAC Name:
3,5-dimethyl-4-phenylmethoxybenzenesulfonyl chloride
InChI:
InChI=1S/C15H15ClO3S/c1-11-8-14(20(16,17)18)9-12(2)15(11)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChI Key:
PZYFWIOVDCVNIE-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1OCc1ccccc1)C)S(=O)(=O)Cl
Properties
Computed Properties
 
Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.043g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.792g/mol
Monoisotopic Mass:
310.043g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Synonyms
 
1016516-29-2 
4-(BENZYLOXY)-3,5-DIMETHYLBENZENE-1-SULFONYL CHLORIDE 
4-(Benzyloxy)-3,5dimethylbenzene-1-sulfonylchloride 
4-(Benzyloxy)-3,5dimethylbenzene-1-sulfonyl chloride 
ACMC-20e5ry 
CTK6B5256 
DTXSID50602715 
ZINC59108518 
AKOS000160512 
RTX-013121 
Benzenesulfonyl chloride, 3,5-dimethyl-4-(phenylmethoxy)- 
Literature
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