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158429-35-7 | Ethyl 4-(3-bromo-6-methoxy-phenoxy)butanoate
CAS No: 158429-35-7 Catalog No: AG01FAQR MDL No:
Product Description
Catalog Number:
AG01FAQR
Chemical Name:
Ethyl 4-(3-bromo-6-methoxy-phenoxy)butanoate
CAS Number:
158429-35-7
Molecular Formula:
C13H17BrO4
Molecular Weight:
317.1757
IUPAC Name:
ethyl 4-(5-bromo-2-methoxyphenoxy)butanoate
InChI:
InChI=1S/C13H17BrO4/c1-3-17-13(15)5-4-8-18-12-9-10(14)6-7-11(12)16-2/h6-7,9H,3-5,8H2,1-2H3
InChI Key:
FPUUCDXLWDWARV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1cc(Br)ccc1OC
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.179g/mol
Monoisotopic Mass:
316.031g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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