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89555-96-4 | 3-Nonanesulfonyl chloride, 1,1,1-trichloro-
CAS No: 89555-96-4 Catalog No: AG003YCR MDL No:
Product Description
Catalog Number:
AG003YCR
Chemical Name:
3-Nonanesulfonyl chloride, 1,1,1-trichloro-
CAS Number:
89555-96-4
Molecular Formula:
C9H16Cl4O2S
Molecular Weight:
330.0991
IUPAC Name:
1,1,1-trichlorononane-3-sulfonyl chloride
InChI:
InChI=1S/C9H16Cl4O2S/c1-2-3-4-5-6-8(16(13,14)15)7-9(10,11)12/h8H,2-7H2,1H3
InChI Key:
ZGHLAMVZMYYRTE-UHFFFAOYSA-N
SMILES:
CCCCCCC(S(=O)(=O)Cl)CC(Cl)(Cl)Cl
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.96g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.085g/mol
Monoisotopic Mass:
327.963g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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