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1443305-46-1 | Ethyl 3-(3-bromo-6-methoxy-phenoxy)propanoate
CAS No: 1443305-46-1 Catalog No: AG01FAD8 MDL No:
Product Description
Catalog Number:
AG01FAD8
Chemical Name:
Ethyl 3-(3-bromo-6-methoxy-phenoxy)propanoate
CAS Number:
1443305-46-1
Molecular Formula:
C12H15BrO4
Molecular Weight:
303.1491
IUPAC Name:
ethyl 3-(5-bromo-2-methoxyphenoxy)propanoate
InChI:
InChI=1S/C12H15BrO4/c1-3-16-12(14)6-7-17-11-8-9(13)4-5-10(11)15-2/h4-5,8H,3,6-7H2,1-2H3
InChI Key:
SEKWYUKNKFRYHK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCOc1cc(Br)ccc1OC
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.015g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.152g/mol
Monoisotopic Mass:
302.015g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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