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146475-47-0 | 1-Propanesulfonic acid, 3-chloro-, butyl ester
CAS No: 146475-47-0 Catalog No: AG001E27 MDL No:
Product Description
Catalog Number:
AG001E27
Chemical Name:
1-Propanesulfonic acid, 3-chloro-, butyl ester
CAS Number:
146475-47-0
Molecular Formula:
C7H15ClO3S
Molecular Weight:
214.7102
IUPAC Name:
butyl 3-chloropropane-1-sulfonate
InChI:
InChI=1S/C7H15ClO3S/c1-2-3-6-11-12(9,10)7-4-5-8/h2-7H2,1H3
InChI Key:
MJHBOVFGBJXYQE-UHFFFAOYSA-N
SMILES:
CCCCOS(=O)(=O)CCCCl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.704g/mol
Monoisotopic Mass:
214.043g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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