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2905-26-2 | Benzenesulfonyl chloride, 3-(1,1-dimethylethyl)-
CAS No: 2905-26-2 Catalog No: AG002VC6 MDL No:MFCD03789234
Product Description
Catalog Number:
AG002VC6
Chemical Name:
Benzenesulfonyl chloride, 3-(1,1-dimethylethyl)-
CAS Number:
2905-26-2
Molecular Formula:
C10H13ClO2S
Molecular Weight:
232.7270
MDL Number:
MFCD03789234
IUPAC Name:
3-tert-butylbenzenesulfonyl chloride
InChI:
InChI=1S/C10H13ClO2S/c1-10(2,3)8-5-4-6-9(7-8)14(11,12)13/h4-7H,1-3H3
InChI Key:
WZQSQOIYTVCFMP-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1)S(=O)(=O)Cl)(C)C
EC Number:
918-344-3
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.722g/mol
Monoisotopic Mass:
232.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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