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861063-42-5 | Ethyl 2-(3-bromo-6-methoxy-phenoxy)acetate
CAS No: 861063-42-5 Catalog No: AG01FBF9 MDL No:
Product Description
Catalog Number:
AG01FBF9
Chemical Name:
Ethyl 2-(3-bromo-6-methoxy-phenoxy)acetate
CAS Number:
861063-42-5
Molecular Formula:
C11H13BrO4
Molecular Weight:
289.1225
IUPAC Name:
ethyl 2-(5-bromo-2-methoxyphenoxy)acetate
InChI:
InChI=1S/C11H13BrO4/c1-3-15-11(13)7-16-10-6-8(12)4-5-9(10)14-2/h4-6H,3,7H2,1-2H3
InChI Key:
BLKSAPCUHJPOQU-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1cc(Br)ccc1OC
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.125g/mol
Monoisotopic Mass:
288g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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