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85163-61-7 | 1-Propanesulfonic acid, 3-(4-chloro-3-methylphenoxy)-
CAS No: 85163-61-7 Catalog No: AG004QP2 MDL No:
Product Description
Catalog Number:
AG004QP2
Chemical Name:
1-Propanesulfonic acid, 3-(4-chloro-3-methylphenoxy)-
CAS Number:
85163-61-7
Molecular Formula:
C10H13ClO4S
Molecular Weight:
264.7258
IUPAC Name:
3-(4-chloro-3-methylphenoxy)propane-1-sulfonic acid
InChI:
InChI=1S/C10H13ClO4S/c1-8-7-9(3-4-10(8)11)15-5-2-6-16(12,13)14/h3-4,7H,2,5-6H2,1H3,(H,12,13,14)
InChI Key:
MQDPUEDYPHNTKI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1C)OCCCS(=O)(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.022g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.72g/mol
Monoisotopic Mass:
264.022g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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