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119152-34-0 | Methanesulfonic acid, 1-chloro-, 4-methylphenyl ester
CAS No: 119152-34-0 Catalog No: AG000I9C MDL No:
Product Description
Catalog Number:
AG000I9C
Chemical Name:
Methanesulfonic acid, 1-chloro-, 4-methylphenyl ester
CAS Number:
119152-34-0
Molecular Formula:
C8H9ClO3S
Molecular Weight:
220.6733
IUPAC Name:
(4-methylphenyl) chloromethanesulfonate
InChI:
InChI=1S/C8H9ClO3S/c1-7-2-4-8(5-3-7)12-13(10,11)6-9/h2-5H,6H2,1H3
InChI Key:
RWYVSAPVFRJOMS-UHFFFAOYSA-N
SMILES:
ClCS(=O)(=O)Oc1ccc(cc1)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.667g/mol
Monoisotopic Mass:
219.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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