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89660-48-0 | Benzenesulfonamide, 4-chloro-N-(2-chloro-5,5-dimethyl-3-hexynyl)-
CAS No: 89660-48-0 Catalog No: AG0044XX MDL No:
Product Description
Catalog Number:
AG0044XX
Chemical Name:
Benzenesulfonamide, 4-chloro-N-(2-chloro-5,5-dimethyl-3-hexynyl)-
CAS Number:
89660-48-0
Molecular Formula:
C14H17Cl2NO2S
Molecular Weight:
334.2613
IUPAC Name:
4-chloro-N-(2-chloro-5,5-dimethylhex-3-ynyl)benzenesulfonamide
InChI:
InChI=1S/C14H17Cl2NO2S/c1-14(2,3)9-8-12(16)10-17-20(18,19)13-6-4-11(15)5-7-13/h4-7,12,17H,10H2,1-3H3
InChI Key:
ZRBOXTLUTILFRD-UHFFFAOYSA-N
SMILES:
ClC(C#CC(C)(C)C)CNS(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.036g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.255g/mol
Monoisotopic Mass:
333.036g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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