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88958-75-2 | Benzene, [(1-chloro-1-ethyl-3-methyl-2-butenyl)sulfonyl]-
CAS No: 88958-75-2 Catalog No: AG0046JR MDL No:
Product Description
Catalog Number:
AG0046JR
Chemical Name:
Benzene, [(1-chloro-1-ethyl-3-methyl-2-butenyl)sulfonyl]-
CAS Number:
88958-75-2
Molecular Formula:
C13H17ClO2S
Molecular Weight:
272.7909
IUPAC Name:
(3-chloro-5-methylhex-4-en-3-yl)sulfonylbenzene
InChI:
InChI=1S/C13H17ClO2S/c1-4-13(14,10-11(2)3)17(15,16)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3
InChI Key:
CGOKOQVZGDYPQC-UHFFFAOYSA-N
SMILES:
CCC(S(=O)(=O)c1ccccc1)(C=C(C)C)Cl
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.787g/mol
Monoisotopic Mass:
272.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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