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78668-11-8 | Benzoic acid, 4,6-dichloro-3-hydroxy-2-methyl-, ethyl ester
CAS No: 78668-11-8 Catalog No: AG005K0A MDL No:
Product Description
Catalog Number:
AG005K0A
Chemical Name:
Benzoic acid, 4,6-dichloro-3-hydroxy-2-methyl-, ethyl ester
CAS Number:
78668-11-8
Molecular Formula:
C10H10Cl2O3
Molecular Weight:
249.0906
IUPAC Name:
ethyl 4,6-dichloro-3-hydroxy-2-methylbenzoate
InChI:
InChI=1S/C10H10Cl2O3/c1-3-15-10(14)8-5(2)9(13)7(12)4-6(8)11/h4,13H,3H2,1-2H3
InChI Key:
KBZWVYCNLUVXMD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Cl)cc(c(c1C)O)Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.087g/mol
Monoisotopic Mass:
248.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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