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115472-98-5 | 2,4,6-triethylbenzene-1-sulfonyl chloride
CAS No: 115472-98-5 Catalog No: AG01C1SX MDL No:MFCD23715575
Product Description
Catalog Number:
AG01C1SX
Chemical Name:
2,4,6-triethylbenzene-1-sulfonyl chloride
CAS Number:
115472-98-5
Molecular Formula:
C12H17ClO2S
Molecular Weight:
260.7802
MDL Number:
MFCD23715575
IUPAC Name:
2,4,6-triethylbenzenesulfonyl chloride
InChI:
InChI=1S/C12H17ClO2S/c1-4-9-7-10(5-2)12(16(13,14)15)11(6-3)8-9/h7-8H,4-6H2,1-3H3
InChI Key:
ADUYHOFATLEZIC-UHFFFAOYSA-N
SMILES:
CCc1cc(CC)cc(c1S(=O)(=O)Cl)CC
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.776g/mol
Monoisotopic Mass:
260.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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