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741699-17-2 | Ethyl 2-(4-bromo-3,5-dimethyl-phenoxy)acetate
CAS No: 741699-17-2 Catalog No: AG01FAI2 MDL No:
Product Description
Catalog Number:
AG01FAI2
Chemical Name:
Ethyl 2-(4-bromo-3,5-dimethyl-phenoxy)acetate
CAS Number:
741699-17-2
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
IUPAC Name:
ethyl 2-(4-bromo-3,5-dimethylphenoxy)acetate
InChI:
InChI=1S/C12H15BrO3/c1-4-15-11(14)7-16-10-5-8(2)12(13)9(3)6-10/h5-6H,4,7H2,1-3H3
InChI Key:
TUYXBMLHMUGIGP-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1cc(C)c(c(c1)C)Br
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.153g/mol
Monoisotopic Mass:
286.02g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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