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1296885-06-7 | Benzenesulfonyl chloride, 3-dodecyl-
CAS No: 1296885-06-7 Catalog No: AG000TKL MDL No:
Product Description
Catalog Number:
AG000TKL
Chemical Name:
Benzenesulfonyl chloride, 3-dodecyl-
CAS Number:
1296885-06-7
Molecular Formula:
C18H29ClO2S
Molecular Weight:
344.9397
IUPAC Name:
3-dodecylbenzenesulfonyl chloride
InChI:
InChI=1S/C18H29ClO2S/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21/h12,14-16H,2-11,13H2,1H3
InChI Key:
UFQPPMFQIGIQBO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1cccc(c1)S(=O)(=O)Cl
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.938g/mol
Monoisotopic Mass:
344.158g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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