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136577-13-4 | Benzoic acid, 3,5-dichloro-2-ethyl-4,6-dihydroxy-, ethyl ester
CAS No: 136577-13-4 Catalog No: AG001234 MDL No:
Product Description
Catalog Number:
AG001234
Chemical Name:
Benzoic acid, 3,5-dichloro-2-ethyl-4,6-dihydroxy-, ethyl ester
CAS Number:
136577-13-4
Molecular Formula:
C11H12Cl2O4
Molecular Weight:
279.1166
IUPAC Name:
ethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
InChI:
InChI=1S/C11H12Cl2O4/c1-3-5-6(11(16)17-4-2)9(14)8(13)10(15)7(5)12/h14-15H,3-4H2,1-2H3
InChI Key:
WPMPMHXPDZOTEY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(O)c(Cl)c(c(c1CC)Cl)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.113g/mol
Monoisotopic Mass:
278.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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