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15945-28-5 | Benzoic acid, 3,5-dichloro-4-methoxy-, ethyl ester
CAS No: 15945-28-5 Catalog No: AG001QPN MDL No:
Product Description
Catalog Number:
AG001QPN
Chemical Name:
Benzoic acid, 3,5-dichloro-4-methoxy-, ethyl ester
CAS Number:
15945-28-5
Molecular Formula:
C10H10Cl2O3
Molecular Weight:
249.0906
IUPAC Name:
ethyl 3,5-dichloro-4-methoxybenzoate
InChI:
InChI=1S/C10H10Cl2O3/c1-3-15-10(13)6-4-7(11)9(14-2)8(12)5-6/h4-5H,3H2,1-2H3
InChI Key:
VKISJJBQCWTCFE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Cl)c(c(c1)Cl)OC
EC Number:
240-080-6
Properties
Complexity:
211
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:
0
Isotope Atom Count:
0
Molecular Weight:
249.087g/mol
Monoisotopic Mass:
248.001g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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