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1138-56-3 | Benzenesulfonyl chloride, 4-butoxy-
CAS No: 1138-56-3 Catalog No: AG0009QE MDL No:MFCD00052344
Product Description
Catalog Number:
AG0009QE
Chemical Name:
Benzenesulfonyl chloride, 4-butoxy-
CAS Number:
1138-56-3
Molecular Formula:
C10H13ClO3S
Molecular Weight:
248.7264
MDL Number:
MFCD00052344
IUPAC Name:
4-butoxybenzenesulfonyl chloride
InChI:
InChI=1S/C10H13ClO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3
InChI Key:
HGKWMUBXVMFXNC-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.027g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.721g/mol
Monoisotopic Mass:
248.027g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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