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189169-48-0 | Tetradecanoyl chloride, 2-(phenylsulfonyl)-
CAS No: 189169-48-0 Catalog No: AG002HZB MDL No:
Product Description
Catalog Number:
AG002HZB
Chemical Name:
Tetradecanoyl chloride, 2-(phenylsulfonyl)-
CAS Number:
189169-48-0
Molecular Formula:
C20H31ClO3S
Molecular Weight:
386.9763
IUPAC Name:
2-(benzenesulfonyl)tetradecanoyl chloride
InChI:
InChI=1S/C20H31ClO3S/c1-2-3-4-5-6-7-8-9-10-14-17-19(20(21)22)25(23,24)18-15-12-11-13-16-18/h11-13,15-16,19H,2-10,14,17H2,1H3
InChI Key:
GURBEBAPFPFAEN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(S(=O)(=O)c1ccccc1)C(=O)Cl
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.975g/mol
Monoisotopic Mass:
386.168g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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