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130228-21-6 | Benzoic acid, 3-(2-bromoethoxy)-2,4-dichloro-, ethyl ester
CAS No: 130228-21-6 Catalog No: AG000U5Q MDL No:
Product Description
Catalog Number:
AG000U5Q
Chemical Name:
Benzoic acid, 3-(2-bromoethoxy)-2,4-dichloro-, ethyl ester
CAS Number:
130228-21-6
Molecular Formula:
C11H11BrCl2O3
Molecular Weight:
342.0132
IUPAC Name:
ethyl 3-(2-bromoethoxy)-2,4-dichlorobenzoate
InChI:
InChI=1S/C11H11BrCl2O3/c1-2-16-11(15)7-3-4-8(13)10(9(7)14)17-6-5-12/h3-4H,2,5-6H2,1H3
InChI Key:
DTKSYGBETIEGAN-UHFFFAOYSA-N
SMILES:
BrCCOc1c(Cl)ccc(c1Cl)C(=O)OCC
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.927g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.01g/mol
Monoisotopic Mass:
339.927g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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