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89447-59-6 | Benzenesulfenyl chloride, 4-dodecyl-
CAS No: 89447-59-6 Catalog No: AG0042WD MDL No:
Product Description
Catalog Number:
AG0042WD
Chemical Name:
Benzenesulfenyl chloride, 4-dodecyl-
CAS Number:
89447-59-6
Molecular Formula:
C18H29ClS
Molecular Weight:
312.9409
IUPAC Name:
(4-dodecylphenyl) thiohypochlorite
InChI:
InChI=1S/C18H29ClS/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(20-19)16-14-17/h13-16H,2-12H2,1H3
InChI Key:
LJXYGEMZYAEDHE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc(cc1)SCl
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.94g/mol
Monoisotopic Mass:
312.168g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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