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2905-30-8 | Benzenesulfonyl chloride, 3,4-dimethyl-
CAS No: 2905-30-8 Catalog No: AG002VC3 MDL No:MFCD00625742
Product Description
Catalog Number:
AG002VC3
Chemical Name:
Benzenesulfonyl chloride, 3,4-dimethyl-
CAS Number:
2905-30-8
Molecular Formula:
C8H9ClO2S
Molecular Weight:
204.6739
MDL Number:
MFCD00625742
IUPAC Name:
3,4-dimethylbenzenesulfonyl chloride
InChI:
InChI=1S/C8H9ClO2S/c1-6-3-4-8(5-7(6)2)12(9,10)11/h3-5H,1-2H3
InChI Key:
DNMQPRPJIWTNAX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)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:
3.2
Literature
| Title | Journal |
|---|---|
| 1-[(4,5-Dimethyl-cyclo-hexa-1,4-dien-1-yl)sulfon-yl]-4-methyl-benzene. | Acta crystallographica. Section E, Structure reports online 20080901 |
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