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26588-34-1 | Benzenesulfonyl chloride, dimethyl- (9CI)
CAS No: 26588-34-1 Catalog No: AG002TSB MDL No:
Product Description
Catalog Number:
AG002TSB
Chemical Name:
Benzenesulfonyl chloride, dimethyl- (9CI)
CAS Number:
26588-34-1
Molecular Formula:
C8H9ClO2S
Molecular Weight:
204.6739
IUPAC Name:
2,3-dimethylbenzenesulfonyl chloride
InChI:
InChI=1S/C8H9ClO2S/c1-6-4-3-5-8(7(6)2)12(9,10)11/h3-5H,1-2H3
InChI Key:
VUNHYCUCWBMXLT-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C)S(=O)(=O)Cl
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.001g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.668g/mol
Monoisotopic Mass:
204.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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