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702672-93-3 | Ethyl 2-chloro-4-(methylsulfonyl)-benzoate
CAS No: 702672-93-3 Catalog No: AG01FBEX MDL No:
Product Description
Catalog Number:
AG01FBEX
Chemical Name:
Ethyl 2-chloro-4-(methylsulfonyl)-benzoate
CAS Number:
702672-93-3
Molecular Formula:
C10H11ClO4S
Molecular Weight:
262.7099
IUPAC Name:
ethyl 2-chloro-4-methylsulfonylbenzoate
InChI:
InChI=1S/C10H11ClO4S/c1-3-15-10(12)8-5-4-7(6-9(8)11)16(2,13)14/h4-6H,3H2,1-2H3
InChI Key:
UTPHXWLIJYXYMJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1Cl)S(=O)(=O)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.704g/mol
Monoisotopic Mass:
262.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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