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623927-88-8 | Methyl 2-Chloro-4-(methylsulphonyl)benzoate
CAS No: 623927-88-8 Catalog No: AG01FB3Q MDL No:
Product Description
Catalog Number:
AG01FB3Q
Chemical Name:
Methyl 2-Chloro-4-(methylsulphonyl)benzoate
CAS Number:
623927-88-8
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
IUPAC Name:
methyl 2-chloro-4-methylsulfonylbenzoate
InChI:
InChI=1S/C9H9ClO4S/c1-14-9(11)7-4-3-6(5-8(7)10)15(2,12)13/h3-5H,1-2H3
InChI Key:
OIMATTRWVJIHBF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1Cl)S(=O)(=O)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.677g/mol
Monoisotopic Mass:
247.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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