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139218-48-7 | Benzenesulfonic acid, 4-methoxy-, (3-chlorophenyl)methyl ester
CAS No: 139218-48-7 Catalog No: AG001AHX MDL No:
Product Description
Catalog Number:
AG001AHX
Chemical Name:
Benzenesulfonic acid, 4-methoxy-, (3-chlorophenyl)methyl ester
CAS Number:
139218-48-7
Molecular Formula:
C14H13ClO4S
Molecular Weight:
312.7686
IUPAC Name:
(3-chlorophenyl)methyl 4-methoxybenzenesulfonate
InChI:
InChI=1S/C14H13ClO4S/c1-18-13-5-7-14(8-6-13)20(16,17)19-10-11-3-2-4-12(15)9-11/h2-9H,10H2,1H3
InChI Key:
BWTHIUQHTWJLKC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)OCc1cccc(c1)Cl
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.022g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.764g/mol
Monoisotopic Mass:
312.022g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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