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1443348-09-1 | Ethyl 3-(4-bromo-3,5-dimethyl-phenoxy)propanoate
CAS No: 1443348-09-1 Catalog No: AG01F9LO MDL No:
Product Description
Catalog Number:
AG01F9LO
Chemical Name:
Ethyl 3-(4-bromo-3,5-dimethyl-phenoxy)propanoate
CAS Number:
1443348-09-1
Molecular Formula:
C13H17BrO3
Molecular Weight:
301.1763
IUPAC Name:
ethyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate
InChI:
InChI=1S/C13H17BrO3/c1-4-16-12(15)5-6-17-11-7-9(2)13(14)10(3)8-11/h7-8H,4-6H2,1-3H3
InChI Key:
VLOMSMBMDPEGLM-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCOc1cc(C)c(c(c1)C)Br
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.18g/mol
Monoisotopic Mass:
300.036g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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